REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2nqv_1_A DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RADPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFGGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.869 176.870 -0.001 0.000 1.165 7 L CA 0.000 54.854 54.840 0.023 0.000 0.813 7 L CB 0.000 42.077 42.059 0.029 0.000 0.961 8 M N 2.147 121.742 119.600 -0.008 0.000 2.233 8 M HA 0.283 4.762 4.480 -0.003 0.000 0.350 8 M C 0.487 176.745 176.300 -0.071 0.000 1.176 8 M CA 0.182 55.437 55.300 -0.076 0.000 1.150 8 M CB 1.264 33.768 32.600 -0.159 0.000 1.530 8 M HN 0.231 nan 8.290 nan 0.000 0.459 9 S N 4.869 120.509 115.700 -0.100 0.000 2.525 9 S HA 0.209 4.677 4.470 -0.003 0.000 0.278 9 S C 1.077 175.625 174.600 -0.087 0.000 1.234 9 S CA -0.922 57.235 58.200 -0.071 0.000 1.058 9 S CB 1.120 64.280 63.200 -0.065 0.000 0.983 9 S HN 0.970 nan 8.310 nan 0.000 0.495 10 L N 1.523 122.724 121.223 -0.037 0.000 2.064 10 L HA -0.214 4.124 4.340 -0.003 0.000 0.216 10 L C 2.305 179.132 176.870 -0.071 0.000 1.077 10 L CA 2.384 57.204 54.840 -0.033 0.000 0.766 10 L CB -0.551 41.538 42.059 0.049 0.000 0.890 10 L HN 0.897 nan 8.230 nan 0.000 0.435 11 D N -0.835 119.528 120.400 -0.061 0.000 2.078 11 D HA -0.170 4.468 4.640 -0.003 0.000 0.193 11 D C 1.954 178.186 176.300 -0.114 0.000 0.990 11 D CA 2.071 56.028 54.000 -0.071 0.000 0.827 11 D CB -0.028 40.740 40.800 -0.053 0.000 0.975 11 D HN 0.321 nan 8.370 nan 0.000 0.451 12 T N 0.423 114.894 114.554 -0.139 0.000 2.737 12 T HA -0.152 4.196 4.350 -0.003 0.000 0.269 12 T C 1.925 176.452 174.700 -0.288 0.000 1.040 12 T CA 1.863 63.849 62.100 -0.188 0.000 1.142 12 T CB -0.370 68.376 68.868 -0.204 0.000 0.861 12 T HN 0.263 nan 8.240 nan 0.000 0.456 13 A N 0.851 123.458 122.820 -0.355 0.000 1.898 13 A HA 0.199 4.517 4.320 -0.003 0.000 0.214 13 A C 2.325 179.760 177.584 -0.248 0.000 1.183 13 A CA 0.676 52.401 52.037 -0.521 0.000 0.622 13 A CB -0.797 17.957 19.000 -0.410 0.000 0.824 13 A HN 0.426 nan 8.150 nan 0.000 0.444 14 L N -0.399 120.722 121.223 -0.170 0.000 1.990 14 L HA -0.279 4.059 4.340 -0.003 0.000 0.213 14 L C 2.422 179.215 176.870 -0.127 0.000 1.072 14 L CA 2.161 56.918 54.840 -0.138 0.000 0.755 14 L CB -0.491 41.501 42.059 -0.111 0.000 0.889 14 L HN 0.535 nan 8.230 nan 0.000 0.432 15 N N -0.911 117.720 118.700 -0.116 0.000 2.166 15 N HA -0.255 4.483 4.740 -0.003 0.000 0.186 15 N C 1.696 177.163 175.510 -0.071 0.000 1.019 15 N CA 1.025 54.023 53.050 -0.087 0.000 0.856 15 N CB 0.111 38.553 38.487 -0.075 0.000 0.993 15 N HN 0.233 nan 8.380 nan 0.000 0.426 16 E N 0.488 120.630 120.200 -0.096 0.000 2.110 16 E HA -0.127 4.221 4.350 -0.003 0.000 0.193 16 E C 1.715 178.355 176.600 0.067 0.000 0.988 16 E CA 1.293 57.683 56.400 -0.016 0.000 0.804 16 E CB 0.004 29.638 29.700 -0.110 0.000 0.745 16 E HN 0.363 nan 8.360 nan 0.000 0.458 17 M N -0.547 119.029 119.600 -0.040 0.000 2.073 17 M HA -0.031 4.447 4.480 -0.003 0.000 0.259 17 M C 2.211 178.428 176.300 -0.137 0.000 1.079 17 M CA 1.229 56.425 55.300 -0.174 0.000 1.131 17 M CB -0.260 32.083 32.600 -0.428 0.000 1.316 17 M HN 0.119 nan 8.290 nan 0.000 0.415 18 L N 0.096 121.234 121.223 -0.141 0.000 2.191 18 L HA -0.195 4.143 4.340 -0.003 0.000 0.212 18 L C 2.699 179.524 176.870 -0.075 0.000 1.103 18 L CA 1.318 56.081 54.840 -0.127 0.000 0.769 18 L CB -0.822 41.172 42.059 -0.107 0.000 0.908 18 L HN 0.428 nan 8.230 nan 0.000 0.438 19 S N 0.384 116.063 115.700 -0.035 0.000 2.383 19 S HA -0.191 4.277 4.470 -0.003 0.000 0.229 19 S C 1.882 176.502 174.600 0.035 0.000 1.030 19 S CA 0.904 59.107 58.200 0.005 0.000 1.002 19 S CB -0.396 62.819 63.200 0.024 0.000 0.829 19 S HN 0.509 nan 8.310 nan 0.000 0.467 20 R N 0.797 121.324 120.500 0.045 0.000 2.300 20 R HA 0.318 4.656 4.340 -0.003 0.000 0.199 20 R C -0.204 176.167 176.300 0.119 0.000 0.920 20 R CA 0.017 56.198 56.100 0.135 0.000 1.046 20 R CB -0.327 30.140 30.300 0.279 0.000 0.984 20 R HN 0.304 nan 8.270 nan 0.000 0.493 21 V N 2.360 122.232 119.914 -0.070 0.000 2.488 21 V HA 0.109 4.227 4.120 -0.003 0.000 0.277 21 V C 0.281 176.409 176.094 0.057 0.000 1.046 21 V CA 0.189 62.433 62.300 -0.094 0.000 0.986 21 V CB 1.531 33.200 31.823 -0.257 0.000 0.989 21 V HN 0.068 nan 8.190 nan 0.000 0.475 22 T N 7.655 122.306 114.554 0.162 0.000 2.756 22 T HA 0.376 4.724 4.350 -0.003 0.000 0.290 22 T C -2.356 172.406 174.700 0.103 0.000 0.985 22 T CA -0.968 61.205 62.100 0.121 0.000 0.955 22 T CB 1.296 70.249 68.868 0.141 0.000 0.930 22 T HN 0.504 nan 8.240 nan 0.000 0.451 23 P HA 0.077 nan 4.420 nan 0.000 0.265 23 P C -0.027 177.306 177.300 0.055 0.000 1.187 23 P CA -0.656 62.471 63.100 0.044 0.000 0.766 23 P CB 0.398 32.111 31.700 0.022 0.000 0.820 24 L N 2.880 124.136 121.223 0.055 0.000 2.503 24 L HA 0.031 4.369 4.340 -0.003 0.000 0.287 24 L C 1.713 178.604 176.870 0.034 0.000 1.252 24 L CA 1.654 56.524 54.840 0.050 0.000 0.835 24 L CB -0.599 41.487 42.059 0.045 0.000 1.099 24 L HN 0.712 nan 8.230 nan 0.000 0.516 25 T N -2.156 112.417 114.554 0.031 0.000 3.191 25 T HA 0.385 4.734 4.350 -0.003 0.000 0.285 25 T C 0.437 175.149 174.700 0.020 0.000 0.887 25 T CA 0.211 62.325 62.100 0.024 0.000 0.881 25 T CB -0.251 68.632 68.868 0.025 0.000 1.217 25 T HN 0.630 nan 8.240 nan 0.000 0.591 26 A N 2.356 125.189 122.820 0.022 0.000 2.531 26 A HA 0.524 4.843 4.320 -0.003 0.000 0.236 26 A C 0.300 177.893 177.584 0.015 0.000 1.062 26 A CA -0.013 52.035 52.037 0.018 0.000 0.760 26 A CB -0.036 18.976 19.000 0.020 0.000 0.995 26 A HN 0.809 nan 8.150 nan 0.000 0.501 27 Q N 0.919 120.726 119.800 0.013 0.000 2.379 27 Q HA 0.659 4.997 4.340 -0.003 0.000 0.278 27 Q C -1.018 174.988 176.000 0.010 0.000 1.068 27 Q CA -0.830 54.979 55.803 0.010 0.000 0.816 27 Q CB 1.789 30.532 28.738 0.009 0.000 1.387 27 Q HN 0.849 nan 8.270 nan 0.000 0.413 28 E N 1.042 121.246 120.200 0.008 0.000 2.410 28 E HA 0.634 4.982 4.350 -0.003 0.000 0.269 28 E C -1.312 175.292 176.600 0.007 0.000 0.937 28 E CA -0.909 55.496 56.400 0.008 0.000 0.793 28 E CB 2.588 32.294 29.700 0.009 0.000 1.314 28 E HN 0.541 nan 8.360 nan 0.000 0.447 29 T N 1.876 116.435 114.554 0.008 0.000 2.890 29 T HA 0.471 4.819 4.350 -0.003 0.000 0.295 29 T C -1.111 173.594 174.700 0.009 0.000 0.993 29 T CA -0.550 61.555 62.100 0.008 0.000 0.979 29 T CB 0.335 69.209 68.868 0.009 0.000 0.967 29 T HN 0.338 nan 8.240 nan 0.000 0.441 30 L N 4.161 125.389 121.223 0.008 0.000 2.371 30 L HA 0.706 5.044 4.340 -0.003 0.000 0.262 30 L C -2.484 174.392 176.870 0.011 0.000 1.006 30 L CA -2.718 52.128 54.840 0.010 0.000 0.818 30 L CB 0.440 42.506 42.059 0.011 0.000 1.354 30 L HN 0.247 nan 8.230 nan 0.000 0.415 31 P HA 0.118 nan 4.420 nan 0.000 0.268 31 P C 0.824 178.134 177.300 0.016 0.000 1.208 31 P CA -0.156 62.952 63.100 0.014 0.000 0.777 31 P CB 0.872 32.581 31.700 0.015 0.000 0.875 32 L N 2.371 123.604 121.223 0.016 0.000 2.079 32 L HA -0.154 4.184 4.340 -0.003 0.000 0.210 32 L C 2.649 179.537 176.870 0.029 0.000 1.081 32 L CA 1.201 56.051 54.840 0.016 0.000 0.752 32 L CB -0.922 41.147 42.059 0.016 0.000 0.896 32 L HN 0.228 nan 8.230 nan 0.000 0.433 33 V N -0.058 119.874 119.914 0.030 0.000 2.568 33 V HA -0.304 3.814 4.120 -0.003 0.000 0.253 33 V C 2.185 178.307 176.094 0.046 0.000 1.072 33 V CA 1.840 64.162 62.300 0.036 0.000 1.084 33 V CB -0.243 31.594 31.823 0.024 0.000 0.676 33 V HN 0.558 nan 8.190 nan 0.000 0.469 34 Q N -1.928 117.896 119.800 0.039 0.000 2.403 34 Q HA 0.019 4.357 4.340 -0.003 0.000 0.203 34 Q C 1.690 177.722 176.000 0.053 0.000 0.932 34 Q CA 0.768 56.597 55.803 0.043 0.000 0.945 34 Q CB 0.055 28.809 28.738 0.028 0.000 1.045 34 Q HN 0.683 nan 8.270 nan 0.000 0.511 35 C N 0.622 119.951 119.300 0.050 0.000 2.625 35 C HA 0.185 4.644 4.460 -0.003 0.000 0.285 35 C C 0.517 175.510 174.990 0.005 0.000 1.279 35 C CA -0.899 58.129 59.018 0.016 0.000 1.698 35 C CB -1.634 26.096 27.740 -0.016 0.000 1.821 35 C HN 0.349 nan 8.230 nan 0.000 0.600 36 F N 1.573 121.503 119.950 -0.032 0.000 2.541 36 F HA 0.448 4.973 4.527 -0.003 0.000 0.378 36 F C 1.306 177.084 175.800 -0.036 0.000 1.068 36 F CA 1.531 59.509 58.000 -0.037 0.000 1.199 36 F CB 0.224 39.207 39.000 -0.028 0.000 1.091 36 F HN 0.437 nan 8.300 nan 0.000 0.555 37 G N 4.158 112.456 108.800 -0.838 0.000 2.159 37 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.256 37 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.256 37 G C 0.362 175.120 174.900 -0.237 0.000 0.977 37 G CA -0.345 44.426 45.100 -0.548 0.000 0.652 37 G HN 0.618 nan 8.290 nan 0.000 0.531 38 R N 0.066 120.451 120.500 -0.193 0.000 2.404 38 R HA 0.499 4.837 4.340 -0.003 0.000 0.291 38 R C 0.725 176.953 176.300 -0.119 0.000 1.025 38 R CA -0.766 55.270 56.100 -0.108 0.000 0.991 38 R CB 0.754 31.016 30.300 -0.063 0.000 1.053 38 R HN 0.189 nan 8.270 nan 0.000 0.479 39 I N 2.949 123.470 120.570 -0.082 0.000 2.638 39 I HA 0.112 4.280 4.170 -0.003 0.000 0.286 39 I C 0.766 176.850 176.117 -0.056 0.000 1.088 39 I CA -0.923 60.333 61.300 -0.073 0.000 1.397 39 I CB 0.104 38.075 38.000 -0.049 0.000 1.414 39 I HN 0.335 nan 8.210 nan 0.000 0.566 40 L N 4.487 125.679 121.223 -0.052 0.000 2.371 40 L HA 0.370 4.708 4.340 -0.003 0.000 0.272 40 L C 1.168 178.032 176.870 -0.011 0.000 1.124 40 L CA 0.303 55.125 54.840 -0.031 0.000 0.816 40 L CB 1.433 43.479 42.059 -0.022 0.000 1.129 40 L HN 0.794 nan 8.230 nan 0.000 0.448 41 A N 2.425 125.243 122.820 -0.003 0.000 1.874 41 A HA 0.150 4.468 4.320 -0.003 0.000 0.214 41 A C 0.643 178.234 177.584 0.011 0.000 1.189 41 A CA 1.238 53.277 52.037 0.004 0.000 0.615 41 A CB -0.345 18.659 19.000 0.006 0.000 0.830 41 A HN 0.731 nan 8.150 nan 0.000 0.443 42 S N -0.305 115.405 115.700 0.016 0.000 2.564 42 S HA 0.481 4.949 4.470 -0.003 0.000 0.274 42 S C -1.678 172.942 174.600 0.033 0.000 1.124 42 S CA -1.081 57.132 58.200 0.022 0.000 0.869 42 S CB 1.148 64.359 63.200 0.019 0.000 1.105 42 S HN 0.170 nan 8.310 nan 0.000 0.472 43 D N 1.287 121.707 120.400 0.034 0.000 2.601 43 D HA 0.174 4.812 4.640 -0.003 0.000 0.229 43 D C -0.097 176.234 176.300 0.051 0.000 1.140 43 D CA 0.314 54.340 54.000 0.045 0.000 0.862 43 D CB 0.292 41.108 40.800 0.027 0.000 1.192 43 D HN 0.386 nan 8.370 nan 0.000 0.480 44 V N 2.620 122.582 119.914 0.080 0.000 2.432 44 V HA 0.238 4.357 4.120 -0.003 0.000 0.275 44 V C 0.493 176.612 176.094 0.042 0.000 1.043 44 V CA -0.669 61.679 62.300 0.081 0.000 0.925 44 V CB 1.660 33.579 31.823 0.159 0.000 0.985 44 V HN 0.211 nan 8.190 nan 0.000 0.466 45 V N 3.922 123.853 119.914 0.028 0.000 2.409 45 V HA 0.310 4.428 4.120 -0.003 0.000 0.291 45 V C 0.394 176.491 176.094 0.005 0.000 1.020 45 V CA -0.254 62.050 62.300 0.008 0.000 0.848 45 V CB 2.010 33.838 31.823 0.008 0.000 0.990 45 V HN 0.903 nan 8.190 nan 0.000 0.430 46 S N 7.284 122.979 115.700 -0.010 0.000 2.488 46 S HA 0.240 4.708 4.470 -0.003 0.000 0.278 46 S C -1.005 173.594 174.600 -0.003 0.000 1.259 46 S CA -0.950 57.244 58.200 -0.009 0.000 1.061 46 S CB 0.952 64.135 63.200 -0.029 0.000 0.910 46 S HN 0.708 nan 8.310 nan 0.000 0.491 47 P HA 0.103 nan 4.420 nan 0.000 0.231 47 P C -0.368 176.935 177.300 0.006 0.000 1.168 47 P CA 0.474 63.578 63.100 0.008 0.000 0.779 47 P CB -0.163 31.545 31.700 0.013 0.000 0.844 48 L N -3.697 117.526 121.223 0.000 0.000 2.465 48 L HA 0.619 4.957 4.340 -0.003 0.000 0.257 48 L C -0.744 176.117 176.870 -0.016 0.000 0.988 48 L CA -1.192 53.647 54.840 -0.002 0.000 0.827 48 L CB 1.229 43.291 42.059 0.005 0.000 1.397 48 L HN -0.395 nan 8.230 nan 0.000 0.410 49 D N 1.237 121.625 120.400 -0.019 0.000 2.350 49 D HA 0.423 5.062 4.640 -0.003 0.000 0.249 49 D C -0.834 175.424 176.300 -0.070 0.000 1.119 49 D CA 0.224 54.201 54.000 -0.039 0.000 0.886 49 D CB 2.465 43.246 40.800 -0.031 0.000 1.195 49 D HN 0.319 nan 8.370 nan 0.000 0.437 50 V N 5.199 125.063 119.914 -0.083 0.000 2.498 50 V HA 0.187 4.305 4.120 -0.003 0.000 0.283 50 V C -2.254 173.773 176.094 -0.112 0.000 1.015 50 V CA -1.366 60.871 62.300 -0.105 0.000 0.867 50 V CB 2.173 33.954 31.823 -0.070 0.000 1.025 50 V HN 0.401 nan 8.190 nan 0.000 0.441 51 P HA 0.143 nan 4.420 nan 0.000 0.272 51 P C 0.955 178.060 177.300 -0.325 0.000 1.230 51 P CA 0.129 63.056 63.100 -0.288 0.000 0.788 51 P CB 1.264 32.764 31.700 -0.333 0.000 0.949 52 G N 0.867 109.357 108.800 -0.516 0.000 2.744 52 G HA2 0.195 4.153 3.960 -0.003 0.000 0.211 52 G HA3 0.195 4.153 3.960 -0.003 0.000 0.211 52 G C -0.108 174.723 174.900 -0.116 0.000 1.143 52 G CA 0.149 45.080 45.100 -0.282 0.000 0.788 52 G HN 0.606 nan 8.290 nan 0.000 0.534 53 F N -2.007 117.952 119.950 0.014 0.000 2.746 53 F HA 0.407 4.932 4.527 -0.003 0.000 0.311 53 F C -1.699 174.109 175.800 0.014 0.000 1.135 53 F CA -2.573 55.436 58.000 0.015 0.000 0.954 53 F CB 0.062 39.072 39.000 0.018 0.000 1.276 53 F HN -0.192 nan 8.300 nan 0.000 0.440 54 D N 2.639 123.187 120.400 0.247 0.000 2.455 54 D HA 0.325 4.963 4.640 -0.003 0.000 0.241 54 D C -0.326 176.115 176.300 0.234 0.000 1.138 54 D CA 0.613 54.708 54.000 0.158 0.000 0.877 54 D CB 0.412 41.282 40.800 0.116 0.000 1.187 54 D HN 0.796 nan 8.370 nan 0.000 0.451 55 N N -0.330 118.456 118.700 0.143 0.000 2.591 55 N HA 0.177 4.915 4.740 -0.003 0.000 0.263 55 N C -1.350 174.210 175.510 0.084 0.000 1.308 55 N CA -0.804 52.341 53.050 0.157 0.000 0.837 55 N CB 1.540 40.137 38.487 0.184 0.000 1.548 55 N HN 0.216 nan 8.380 nan 0.000 0.493 56 S N -0.225 115.521 115.700 0.077 0.000 2.510 56 S HA 0.445 4.913 4.470 -0.003 0.000 0.279 56 S C 1.293 175.917 174.600 0.041 0.000 1.284 56 S CA 0.220 58.452 58.200 0.052 0.000 1.059 56 S CB 0.181 63.407 63.200 0.045 0.000 0.901 56 S HN 0.704 nan 8.310 nan 0.000 0.491 57 A N 6.545 129.385 122.820 0.033 0.000 1.841 57 A HA 0.124 4.442 4.320 -0.003 0.000 0.214 57 A C 1.074 178.669 177.584 0.018 0.000 1.195 57 A CA 0.972 53.023 52.037 0.023 0.000 0.611 57 A CB -0.289 18.724 19.000 0.022 0.000 0.835 57 A HN 0.797 nan 8.150 nan 0.000 0.443 58 M N 0.324 119.933 119.600 0.015 0.000 2.811 58 M HA 0.370 4.849 4.480 -0.003 0.000 0.303 58 M C -1.449 174.847 176.300 -0.006 0.000 1.227 58 M CA -1.001 54.300 55.300 0.002 0.000 0.874 58 M CB 0.557 33.153 32.600 -0.006 0.000 1.681 58 M HN 0.336 nan 8.290 nan 0.000 0.500 59 D N -0.116 120.269 120.400 -0.026 0.000 2.255 59 D HA 0.691 5.330 4.640 -0.003 0.000 0.249 59 D C 0.410 176.629 176.300 -0.134 0.000 1.078 59 D CA -0.239 53.730 54.000 -0.050 0.000 0.896 59 D CB 1.460 42.236 40.800 -0.040 0.000 1.194 59 D HN 0.845 nan 8.370 nan 0.000 0.429 60 G N 0.166 108.829 108.800 -0.229 0.000 2.563 60 G HA2 0.242 4.200 3.960 -0.003 0.000 0.068 60 G HA3 0.242 4.200 3.960 -0.003 0.000 0.068 60 G C -1.739 172.814 174.900 -0.578 0.000 1.001 60 G CA -0.829 43.988 45.100 -0.472 0.000 1.188 60 G HN 0.440 nan 8.290 nan 0.000 0.512 61 Y N 0.648 121.019 120.300 0.118 0.000 2.401 61 Y HA 0.656 5.204 4.550 -0.003 0.000 0.330 61 Y C 0.277 176.281 175.900 0.172 0.000 1.071 61 Y CA -0.497 57.697 58.100 0.156 0.000 1.049 61 Y CB 2.380 40.998 38.460 0.264 0.000 1.239 61 Y HN 0.760 nan 8.280 nan 0.000 0.437 62 A N 3.104 126.081 122.820 0.262 0.000 2.328 62 A HA 0.778 5.097 4.320 -0.003 0.000 0.284 62 A C -0.477 177.363 177.584 0.427 0.000 1.160 62 A CA -0.449 51.727 52.037 0.232 0.000 0.818 62 A CB 0.166 19.192 19.000 0.043 0.000 1.087 62 A HN 0.718 nan 8.150 nan 0.000 0.504 63 V N 0.395 120.520 119.914 0.351 0.000 3.007 63 V HA 0.757 4.875 4.120 -0.003 0.000 0.311 63 V C -0.409 175.691 176.094 0.009 0.000 1.120 63 V CA -1.317 61.083 62.300 0.166 0.000 0.980 63 V CB 1.669 33.420 31.823 -0.119 0.000 1.033 63 V HN 0.860 nan 8.190 nan 0.000 0.429 64 R N 1.810 122.144 120.500 -0.278 0.000 2.357 64 R HA 0.531 4.869 4.340 -0.003 0.000 0.296 64 R C 0.777 176.951 176.300 -0.210 0.000 1.052 64 R CA -0.674 55.254 56.100 -0.287 0.000 0.988 64 R CB 0.982 31.016 30.300 -0.444 0.000 1.025 64 R HN 0.687 nan 8.270 nan 0.000 0.469 65 L N 2.693 123.829 121.223 -0.144 0.000 2.275 65 L HA -0.057 4.281 4.340 -0.003 0.000 0.215 65 L C 1.862 178.654 176.870 -0.130 0.000 1.119 65 L CA 1.572 56.337 54.840 -0.124 0.000 0.790 65 L CB -1.330 40.682 42.059 -0.078 0.000 0.919 65 L HN 0.887 nan 8.230 nan 0.000 0.443 66 A N 0.467 123.202 122.820 -0.141 0.000 1.849 66 A HA -0.230 4.088 4.320 -0.003 0.000 0.217 66 A C 0.705 178.208 177.584 -0.135 0.000 1.202 66 A CA 1.737 53.697 52.037 -0.129 0.000 0.629 66 A CB -1.136 17.779 19.000 -0.141 0.000 0.834 66 A HN 0.550 nan 8.150 nan 0.000 0.447 67 D N -0.963 119.333 120.400 -0.174 0.000 2.483 67 D HA 0.479 5.117 4.640 -0.003 0.000 0.220 67 D C 0.275 176.457 176.300 -0.197 0.000 1.173 67 D CA -0.249 53.654 54.000 -0.161 0.000 0.964 67 D CB 0.795 41.496 40.800 -0.166 0.000 1.046 67 D HN 0.197 nan 8.370 nan 0.000 0.517 68 I N 0.656 121.133 120.570 -0.154 0.000 3.639 68 I HA 0.074 4.243 4.170 -0.003 0.000 0.265 68 I C 1.776 177.850 176.117 -0.072 0.000 1.087 68 I CA 0.112 61.311 61.300 -0.168 0.000 1.427 68 I CB -0.873 37.017 38.000 -0.183 0.000 1.824 68 I HN 0.385 nan 8.210 nan 0.000 0.391 69 A N 0.209 122.995 122.820 -0.056 0.000 2.169 69 A HA -0.021 4.297 4.320 -0.003 0.000 0.212 69 A C 2.155 179.724 177.584 -0.026 0.000 1.153 69 A CA 1.345 53.366 52.037 -0.028 0.000 0.756 69 A CB -0.425 18.560 19.000 -0.025 0.000 0.813 69 A HN 0.400 nan 8.150 nan 0.000 0.471 70 S N -0.604 115.071 115.700 -0.041 0.000 2.421 70 S HA -0.148 4.320 4.470 -0.003 0.000 0.239 70 S C 1.864 176.454 174.600 -0.018 0.000 1.054 70 S CA 2.420 60.598 58.200 -0.037 0.000 1.035 70 S CB -0.541 62.626 63.200 -0.055 0.000 0.840 70 S HN 1.936 nan 8.310 nan 0.000 0.475 71 G N -0.160 108.636 108.800 -0.006 0.000 2.347 71 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.247 71 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.247 71 G C 0.073 174.988 174.900 0.024 0.000 1.037 71 G CA 0.512 45.620 45.100 0.013 0.000 0.622 71 G HN 0.659 nan 8.290 nan 0.000 0.521 72 Q N 1.919 121.728 119.800 0.015 0.000 2.373 72 Q HA 0.377 4.715 4.340 -0.003 0.000 0.255 72 Q C -1.850 174.176 176.000 0.044 0.000 0.980 72 Q CA -1.197 54.617 55.803 0.019 0.000 0.882 72 Q CB 1.097 29.839 28.738 0.006 0.000 1.249 72 Q HN 0.364 nan 8.270 nan 0.000 0.438 73 P HA 0.101 nan 4.420 nan 0.000 0.274 73 P C -1.040 176.302 177.300 0.070 0.000 1.237 73 P CA 0.132 63.277 63.100 0.074 0.000 0.793 73 P CB 0.612 32.325 31.700 0.023 0.000 0.977 74 L N 2.468 123.764 121.223 0.123 0.000 2.322 74 L HA 0.504 4.842 4.340 -0.003 0.000 0.281 74 L C -2.331 174.554 176.870 0.025 0.000 1.014 74 L CA -2.450 52.447 54.840 0.095 0.000 0.815 74 L CB 2.065 44.224 42.059 0.166 0.000 1.247 74 L HN 0.187 nan 8.230 nan 0.000 0.421 75 P HA 0.138 nan 4.420 nan 0.000 0.294 75 P C -0.376 176.916 177.300 -0.013 0.000 1.294 75 P CA -0.554 62.532 63.100 -0.024 0.000 0.827 75 P CB 1.775 33.474 31.700 -0.002 0.000 0.992 76 V N 0.817 120.698 119.914 -0.054 0.000 2.416 76 V HA 0.206 4.325 4.120 -0.003 0.000 0.267 76 V C 1.515 177.615 176.094 0.009 0.000 1.007 76 V CA 0.550 62.838 62.300 -0.019 0.000 1.102 76 V CB -1.001 30.820 31.823 -0.003 0.000 1.035 76 V HN 0.647 nan 8.190 nan 0.000 0.473 77 A N 4.076 126.918 122.820 0.037 0.000 1.897 77 A HA 0.529 4.848 4.320 -0.003 0.000 0.215 77 A C 1.415 178.993 177.584 -0.009 0.000 1.181 77 A CA 1.288 53.356 52.037 0.051 0.000 0.620 77 A CB -0.417 18.665 19.000 0.137 0.000 0.821 77 A HN 1.452 nan 8.150 nan 0.000 0.443 78 G N -1.632 107.069 108.800 -0.166 0.000 2.706 78 G HA2 0.567 4.525 3.960 -0.003 0.000 0.307 78 G HA3 0.567 4.525 3.960 -0.003 0.000 0.307 78 G C -1.807 172.737 174.900 -0.594 0.000 1.307 78 G CA -0.128 44.756 45.100 -0.361 0.000 0.790 78 G HN 0.631 nan 8.290 nan 0.000 0.503 79 K N -1.585 118.315 120.400 -0.833 0.000 2.598 79 K HA 0.756 5.074 4.320 -0.003 0.000 0.271 79 K C -1.292 174.882 176.600 -0.709 0.000 0.947 79 K CA -0.603 55.252 56.287 -0.720 0.000 0.854 79 K CB 1.537 33.688 32.500 -0.582 0.000 1.401 79 K HN 0.618 nan 8.250 nan 0.000 0.415 80 S N 1.642 116.892 115.700 -0.750 0.000 2.571 80 S HA 0.772 5.240 4.470 -0.003 0.000 0.284 80 S C -1.168 173.115 174.600 -0.527 0.000 1.128 80 S CA -0.676 57.209 58.200 -0.524 0.000 0.970 80 S CB 0.213 63.237 63.200 -0.294 0.000 1.039 80 S HN 0.529 nan 8.310 nan 0.000 0.485 81 F N 1.462 121.392 119.950 -0.032 0.000 3.114 81 F HA 0.665 5.190 4.527 -0.003 0.000 0.195 81 F C 1.600 177.402 175.800 0.003 0.000 1.540 81 F CA -0.824 57.166 58.000 -0.015 0.000 0.910 81 F CB -0.470 38.525 39.000 -0.010 0.000 1.972 81 F HN 0.635 nan 8.300 nan 0.000 0.385 82 A N 0.579 123.551 122.820 0.253 0.000 3.488 82 A HA 0.219 4.538 4.320 -0.003 0.000 0.147 82 A C 1.886 179.540 177.584 0.117 0.000 1.216 82 A CA 0.727 52.856 52.037 0.153 0.000 0.998 82 A CB -1.566 17.502 19.000 0.112 0.000 1.066 82 A HN 0.789 nan 8.150 nan 0.000 0.548 83 G N -0.416 108.443 108.800 0.099 0.000 2.807 83 G HA2 0.181 4.139 3.960 -0.003 0.000 0.207 83 G HA3 0.181 4.139 3.960 -0.003 0.000 0.207 83 G C 0.600 175.524 174.900 0.041 0.000 1.151 83 G CA 0.637 45.778 45.100 0.068 0.000 0.800 83 G HN 0.809 nan 8.290 nan 0.000 0.523 84 Q N 0.584 120.419 119.800 0.058 0.000 2.278 84 Q HA 0.539 4.877 4.340 -0.003 0.000 0.257 84 Q C -2.811 173.177 176.000 -0.020 0.000 0.928 84 Q CA -2.161 53.666 55.803 0.040 0.000 0.932 84 Q CB 2.470 31.259 28.738 0.086 0.000 1.221 84 Q HN 0.028 nan 8.270 nan 0.000 0.434 85 P HA 0.242 nan 4.420 nan 0.000 0.332 85 P C -1.696 175.450 177.300 -0.257 0.000 1.298 85 P CA -0.507 62.477 63.100 -0.192 0.000 0.755 85 P CB 0.444 32.029 31.700 -0.190 0.000 1.465 86 Y N -0.570 119.344 120.300 -0.645 0.000 2.442 86 Y HA 0.499 5.048 4.550 -0.003 0.000 0.344 86 Y C -0.475 174.834 175.900 -0.984 0.000 0.976 86 Y CA -0.382 57.338 58.100 -0.632 0.000 1.040 86 Y CB 1.282 39.453 38.460 -0.481 0.000 1.228 86 Y HN 0.369 nan 8.280 nan 0.000 0.451 87 H N 1.988 120.499 119.070 -0.931 0.000 2.943 87 H HA 0.626 5.180 4.556 -0.003 0.000 0.323 87 H C -0.384 174.446 175.328 -0.831 0.000 1.296 87 H CA -0.976 54.650 56.048 -0.703 0.000 1.155 87 H CB 1.826 31.384 29.762 -0.340 0.000 1.882 87 H HN 0.920 nan 8.280 nan 0.000 0.553 88 G N 1.713 110.354 108.800 -0.265 0.000 2.970 88 G HA2 -0.138 3.820 3.960 -0.003 0.000 0.249 88 G HA3 -0.138 3.820 3.960 -0.003 0.000 0.249 88 G C -0.630 174.232 174.900 -0.062 0.000 1.113 88 G CA -0.146 44.852 45.100 -0.169 0.000 1.119 88 G HN 0.806 nan 8.290 nan 0.000 0.552 89 E N -1.555 118.653 120.200 0.014 0.000 0.918 89 E HA -0.187 4.161 4.350 -0.003 0.000 0.369 89 E C 0.414 177.159 176.600 0.242 0.000 0.593 89 E CA 0.833 57.303 56.400 0.118 0.000 1.394 89 E CB 0.089 29.840 29.700 0.085 0.000 0.264 89 E HN 0.752 nan 8.360 nan 0.000 0.371 90 W N 5.987 127.341 121.300 0.090 0.000 2.446 90 W HA 0.213 4.872 4.660 -0.003 0.000 0.316 90 W C -1.962 174.596 176.519 0.066 0.000 1.376 90 W CA -2.749 54.666 57.345 0.117 0.000 1.300 90 W CB 0.025 29.544 29.460 0.098 0.000 1.351 90 W HN 0.467 nan 8.180 nan 0.000 0.530 91 P HA 0.103 nan 4.420 nan 0.000 0.261 91 P C -0.251 177.062 177.300 0.022 0.000 1.203 91 P CA 0.125 63.331 63.100 0.178 0.000 0.767 91 P CB 0.188 31.997 31.700 0.182 0.000 0.785 92 A N 3.340 126.126 122.820 -0.056 0.000 2.520 92 A HA 0.394 4.712 4.320 -0.003 0.000 0.235 92 A C 1.583 179.097 177.584 -0.117 0.000 1.065 92 A CA 0.814 52.759 52.037 -0.152 0.000 0.764 92 A CB -0.945 17.990 19.000 -0.108 0.000 1.002 92 A HN 0.907 nan 8.150 nan 0.000 0.502 93 G N 0.447 109.149 108.800 -0.164 0.000 2.241 93 G HA2 -0.144 3.814 3.960 -0.003 0.000 0.244 93 G HA3 -0.144 3.814 3.960 -0.003 0.000 0.244 93 G C 0.629 175.490 174.900 -0.066 0.000 0.998 93 G CA 1.122 46.162 45.100 -0.101 0.000 0.621 93 G HN 2.331 nan 8.290 nan 0.000 0.519 94 T N -0.726 113.802 114.554 -0.044 0.000 2.859 94 T HA 0.615 4.963 4.350 -0.003 0.000 0.281 94 T C 0.938 175.752 174.700 0.190 0.000 1.005 94 T CA 0.061 62.209 62.100 0.079 0.000 1.025 94 T CB 1.815 70.775 68.868 0.152 0.000 0.977 94 T HN 1.513 nan 8.240 nan 0.000 0.458 95 C N 2.632 122.060 119.300 0.214 0.000 2.480 95 C HA 0.822 5.280 4.460 -0.003 0.000 0.358 95 C C 0.221 175.395 174.990 0.306 0.000 1.309 95 C CA -1.037 58.181 59.018 0.333 0.000 2.465 95 C CB -0.961 26.973 27.740 0.323 0.000 2.379 95 C HN 0.956 nan 8.230 nan 0.000 0.642 96 I N 1.446 122.171 120.570 0.258 0.000 2.468 96 I HA 0.383 4.551 4.170 -0.003 0.000 0.285 96 I C 0.245 176.406 176.117 0.072 0.000 1.039 96 I CA -0.471 60.800 61.300 -0.048 0.000 1.074 96 I CB 0.921 38.595 38.000 -0.544 0.000 1.228 96 I HN 0.885 nan 8.210 nan 0.000 0.436 97 R N 7.981 128.556 120.500 0.126 0.000 2.457 97 R HA 0.306 4.644 4.340 -0.003 0.000 0.335 97 R C -1.242 175.028 176.300 -0.050 0.000 1.003 97 R CA 0.470 56.696 56.100 0.210 0.000 1.003 97 R CB 0.229 30.674 30.300 0.242 0.000 0.950 97 R HN 0.621 nan 8.270 nan 0.000 0.428 98 I N 4.928 125.481 120.570 -0.029 0.000 2.740 98 I HA 0.397 4.565 4.170 -0.003 0.000 0.303 98 I C -0.758 175.384 176.117 0.042 0.000 1.044 98 I CA -1.293 59.965 61.300 -0.070 0.000 1.064 98 I CB 2.068 40.016 38.000 -0.087 0.000 1.249 98 I HN 0.691 nan 8.210 nan 0.000 0.433 99 M N 4.164 123.845 119.600 0.135 0.000 2.393 99 M HA 0.205 4.683 4.480 -0.003 0.000 0.299 99 M C -0.222 176.141 176.300 0.105 0.000 1.103 99 M CA -0.599 54.791 55.300 0.151 0.000 0.910 99 M CB 1.908 34.663 32.600 0.259 0.000 1.659 99 M HN 0.576 nan 8.290 nan 0.000 0.445 100 T N 1.715 116.301 114.554 0.053 0.000 2.657 100 T HA 0.010 4.358 4.350 -0.003 0.000 0.245 100 T C 1.264 176.000 174.700 0.060 0.000 1.021 100 T CA 2.740 64.866 62.100 0.042 0.000 1.155 100 T CB -0.036 68.843 68.868 0.018 0.000 1.022 100 T HN 1.032 nan 8.240 nan 0.000 0.477 101 G N 2.833 111.671 108.800 0.063 0.000 2.284 101 G HA2 -0.117 3.841 3.960 -0.003 0.000 0.247 101 G HA3 -0.117 3.841 3.960 -0.003 0.000 0.247 101 G C 0.382 175.367 174.900 0.140 0.000 1.012 101 G CA 0.170 45.319 45.100 0.082 0.000 0.618 101 G HN 1.478 nan 8.290 nan 0.000 0.521 102 A N 1.904 124.802 122.820 0.131 0.000 2.386 102 A HA 0.680 4.998 4.320 -0.003 0.000 0.248 102 A C -1.586 176.078 177.584 0.135 0.000 1.082 102 A CA -0.486 51.630 52.037 0.132 0.000 0.789 102 A CB 0.416 19.474 19.000 0.096 0.000 1.025 102 A HN 0.280 nan 8.150 nan 0.000 0.490 103 P HA 0.291 nan 4.420 nan 0.000 0.279 103 P C 0.027 177.316 177.300 -0.018 0.000 1.239 103 P CA -0.133 63.009 63.100 0.070 0.000 0.789 103 P CB 0.894 32.453 31.700 -0.236 0.000 0.933 104 V N 0.743 120.667 119.914 0.018 0.000 2.834 104 V HA 0.511 4.629 4.120 -0.003 0.000 0.301 104 V C -2.188 173.859 176.094 -0.079 0.000 1.066 104 V CA -1.941 60.338 62.300 -0.035 0.000 1.052 104 V CB 0.029 31.866 31.823 0.025 0.000 1.021 104 V HN 0.455 nan 8.190 nan 0.000 0.480 105 P HA 0.247 nan 4.420 nan 0.000 0.282 105 P C -0.376 176.923 177.300 -0.002 0.000 1.249 105 P CA -0.337 62.684 63.100 -0.132 0.000 0.806 105 P CB 0.712 32.223 31.700 -0.313 0.000 0.984 106 E N 1.342 121.572 120.200 0.051 0.000 2.708 106 E HA 0.026 4.374 4.350 -0.003 0.000 0.260 106 E C 1.364 178.085 176.600 0.201 0.000 0.937 106 E CA 1.774 58.239 56.400 0.109 0.000 0.953 106 E CB -0.417 29.343 29.700 0.100 0.000 0.915 106 E HN 0.817 nan 8.360 nan 0.000 0.487 107 G N 3.092 111.996 108.800 0.173 0.000 2.148 107 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.254 107 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.254 107 G C 0.762 175.816 174.900 0.257 0.000 0.981 107 G CA 0.187 45.398 45.100 0.184 0.000 0.670 107 G HN 0.775 nan 8.290 nan 0.000 0.528 108 C N -0.601 118.896 119.300 0.329 0.000 2.820 108 C HA 0.556 5.014 4.460 -0.003 0.000 0.359 108 C C 1.695 176.796 174.990 0.185 0.000 1.357 108 C CA 1.204 60.455 59.018 0.388 0.000 2.197 108 C CB 0.585 28.489 27.740 0.273 0.000 2.569 108 C HN 0.622 nan 8.230 nan 0.000 0.753 109 E N 0.209 120.496 120.200 0.144 0.000 2.617 109 E HA 0.367 4.715 4.350 -0.003 0.000 0.208 109 E C -0.044 176.588 176.600 0.054 0.000 0.888 109 E CA 0.507 56.947 56.400 0.065 0.000 1.485 109 E CB 0.963 30.670 29.700 0.011 0.000 1.482 109 E HN 0.863 nan 8.360 nan 0.000 0.813 110 A N 0.303 123.168 122.820 0.075 0.000 2.536 110 A HA 0.705 5.023 4.320 -0.003 0.000 0.293 110 A C -1.711 175.929 177.584 0.094 0.000 1.119 110 A CA -0.493 51.582 52.037 0.063 0.000 0.654 110 A CB 1.599 20.616 19.000 0.028 0.000 1.291 110 A HN -0.053 nan 8.150 nan 0.000 0.439 111 V N 0.030 119.997 119.914 0.088 0.000 2.733 111 V HA 0.601 4.719 4.120 -0.003 0.000 0.306 111 V C -1.126 175.041 176.094 0.122 0.000 1.084 111 V CA -0.448 61.918 62.300 0.110 0.000 0.905 111 V CB 1.872 33.742 31.823 0.079 0.000 1.010 111 V HN 0.913 nan 8.190 nan 0.000 0.424 112 V N 5.339 125.363 119.914 0.183 0.000 2.531 112 V HA 0.435 4.553 4.120 -0.003 0.000 0.301 112 V C 0.171 176.338 176.094 0.121 0.000 1.034 112 V CA -0.737 61.684 62.300 0.202 0.000 0.865 112 V CB 1.952 34.007 31.823 0.387 0.000 0.995 112 V HN 0.977 nan 8.190 nan 0.000 0.424 113 M N 3.446 123.080 119.600 0.056 0.000 2.390 113 M HA 0.166 4.644 4.480 -0.003 0.000 0.353 113 M C 1.099 177.378 176.300 -0.034 0.000 1.623 113 M CA 0.046 55.336 55.300 -0.017 0.000 1.065 113 M CB -0.106 32.493 32.600 -0.002 0.000 2.025 113 M HN 0.807 nan 8.290 nan 0.000 0.461 114 Q N 1.596 121.295 119.800 -0.168 0.000 2.443 114 Q HA -0.184 4.154 4.340 -0.003 0.000 0.213 114 Q C 0.681 176.663 176.000 -0.030 0.000 0.982 114 Q CA 1.669 57.389 55.803 -0.138 0.000 0.894 114 Q CB -0.361 28.154 28.738 -0.371 0.000 0.947 114 Q HN 0.776 nan 8.270 nan 0.000 0.480 115 E N 1.421 121.600 120.200 -0.035 0.000 2.072 115 E HA -0.213 4.136 4.350 -0.003 0.000 0.190 115 E C 1.881 178.483 176.600 0.002 0.000 0.982 115 E CA 1.257 57.648 56.400 -0.014 0.000 0.803 115 E CB -0.496 29.195 29.700 -0.017 0.000 0.755 115 E HN 0.669 nan 8.360 nan 0.000 0.453 116 Q N 1.052 120.861 119.800 0.015 0.000 2.112 116 Q HA -0.103 4.235 4.340 -0.003 0.000 0.206 116 Q C 0.257 176.270 176.000 0.022 0.000 0.987 116 Q CA 1.761 57.582 55.803 0.030 0.000 0.858 116 Q CB 0.021 28.794 28.738 0.059 0.000 0.905 116 Q HN 0.316 nan 8.270 nan 0.000 0.420 117 T N -0.835 113.725 114.554 0.010 0.000 2.770 117 T HA 0.388 4.736 4.350 -0.003 0.000 0.297 117 T C -0.553 174.120 174.700 -0.045 0.000 0.997 117 T CA -0.858 61.212 62.100 -0.050 0.000 0.949 117 T CB 1.589 70.347 68.868 -0.183 0.000 0.941 117 T HN 0.117 nan 8.240 nan 0.000 0.457 118 E N 2.852 123.025 120.200 -0.045 0.000 2.404 118 E HA 0.374 4.722 4.350 -0.003 0.000 0.261 118 E C -0.002 176.553 176.600 -0.074 0.000 1.074 118 E CA 0.121 56.499 56.400 -0.037 0.000 0.917 118 E CB 0.705 30.391 29.700 -0.024 0.000 0.965 118 E HN 0.776 nan 8.360 nan 0.000 0.433 119 Q N 1.491 121.258 119.800 -0.054 0.000 3.146 119 Q HA 0.628 4.966 4.340 -0.003 0.000 0.318 119 Q C -0.660 175.307 176.000 -0.056 0.000 0.992 119 Q CA -0.912 54.841 55.803 -0.084 0.000 0.809 119 Q CB 1.540 30.241 28.738 -0.063 0.000 1.490 119 Q HN 0.644 nan 8.270 nan 0.000 0.493 120 M N -1.021 118.544 119.600 -0.058 0.000 3.419 120 M HA 0.354 4.832 4.480 -0.003 0.000 0.287 120 M C -1.371 174.911 176.300 -0.030 0.000 1.333 120 M CA -0.390 54.890 55.300 -0.034 0.000 0.843 120 M CB 0.945 33.528 32.600 -0.027 0.000 1.686 120 M HN 0.551 nan 8.290 nan 0.000 0.491 121 D N 0.883 121.273 120.400 -0.017 0.000 2.352 121 D HA 0.102 4.740 4.640 -0.003 0.000 0.232 121 D C 0.155 176.448 176.300 -0.010 0.000 1.055 121 D CA 0.987 54.981 54.000 -0.010 0.000 0.891 121 D CB -0.158 40.640 40.800 -0.003 0.000 0.897 121 D HN 0.659 nan 8.370 nan 0.000 0.529 122 N N -0.877 117.813 118.700 -0.017 0.000 1.900 122 N HA 0.190 4.929 4.740 -0.003 0.000 0.227 122 N C 0.366 175.864 175.510 -0.019 0.000 1.411 122 N CA -0.276 52.766 53.050 -0.013 0.000 0.780 122 N CB 1.178 39.661 38.487 -0.006 0.000 1.082 122 N HN 0.026 nan 8.380 nan 0.000 0.505 123 G N 0.052 108.831 108.800 -0.034 0.000 2.768 123 G HA2 0.514 4.472 3.960 -0.003 0.000 0.297 123 G HA3 0.514 4.472 3.960 -0.003 0.000 0.297 123 G C -1.812 173.038 174.900 -0.083 0.000 1.430 123 G CA -0.438 44.639 45.100 -0.040 0.000 1.030 123 G HN -0.021 nan 8.290 nan 0.000 0.553 124 V N 2.103 121.938 119.914 -0.132 0.000 2.472 124 V HA 0.612 4.730 4.120 -0.003 0.000 0.290 124 V C 0.027 175.956 176.094 -0.275 0.000 1.037 124 V CA -0.747 61.377 62.300 -0.292 0.000 0.908 124 V CB 1.491 32.955 31.823 -0.598 0.000 0.985 124 V HN 0.765 nan 8.190 nan 0.000 0.454 125 R N 4.145 124.450 120.500 -0.325 0.000 2.480 125 R HA 0.645 4.983 4.340 -0.003 0.000 0.306 125 R C -1.438 174.720 176.300 -0.237 0.000 0.958 125 R CA -0.470 55.553 56.100 -0.129 0.000 0.861 125 R CB 1.428 31.703 30.300 -0.042 0.000 1.171 125 R HN 0.445 nan 8.270 nan 0.000 0.445 126 F N 0.106 120.064 119.950 0.013 0.000 2.411 126 F HA 0.415 4.940 4.527 -0.003 0.000 0.324 126 F C 1.452 177.269 175.800 0.028 0.000 1.086 126 F CA -0.347 57.675 58.000 0.036 0.000 1.028 126 F CB 1.453 40.475 39.000 0.037 0.000 1.284 126 F HN 0.461 nan 8.300 nan 0.000 0.501 127 T N -0.551 114.124 114.554 0.201 0.000 3.397 127 T HA 0.379 4.727 4.350 -0.003 0.000 0.233 127 T C 0.555 175.316 174.700 0.103 0.000 0.969 127 T CA 0.380 62.548 62.100 0.113 0.000 1.316 127 T CB -0.372 68.539 68.868 0.071 0.000 1.175 127 T HN 0.581 nan 8.240 nan 0.000 0.381 128 A N 1.489 124.368 122.820 0.099 0.000 2.386 128 A HA 0.345 4.663 4.320 -0.003 0.000 0.246 128 A C 1.140 178.765 177.584 0.068 0.000 1.089 128 A CA -0.204 51.876 52.037 0.072 0.000 0.790 128 A CB 0.120 19.157 19.000 0.063 0.000 1.042 128 A HN 0.388 nan 8.150 nan 0.000 0.497 129 E N -0.114 120.111 120.200 0.041 0.000 2.418 129 E HA 0.033 4.381 4.350 -0.003 0.000 0.197 129 E C 0.537 177.146 176.600 0.014 0.000 1.026 129 E CA 1.124 57.538 56.400 0.023 0.000 0.862 129 E CB -0.958 28.750 29.700 0.013 0.000 0.799 129 E HN 1.582 nan 8.360 nan 0.000 0.518 130 V N -0.257 119.674 119.914 0.028 0.000 4.273 130 V HA -0.297 3.822 4.120 -0.003 0.000 0.450 130 V C 0.152 176.251 176.094 0.009 0.000 0.683 130 V CA 0.410 62.727 62.300 0.027 0.000 1.815 130 V CB -1.385 30.460 31.823 0.037 0.000 2.190 130 V HN 0.165 nan 8.190 nan 0.000 0.492 131 R N 3.423 123.931 120.500 0.013 0.000 2.973 131 R HA 0.462 4.801 4.340 -0.003 0.000 0.277 131 R C 1.054 177.357 176.300 0.004 0.000 1.000 131 R CA 1.114 57.218 56.100 0.008 0.000 1.175 131 R CB 0.185 30.492 30.300 0.011 0.000 1.113 131 R HN 1.281 nan 8.270 nan 0.000 0.495 132 S N -0.554 115.148 115.700 0.002 0.000 2.592 132 S HA 0.383 4.851 4.470 -0.003 0.000 0.271 132 S C 0.883 175.490 174.600 0.012 0.000 1.326 132 S CA 0.354 58.556 58.200 0.003 0.000 1.024 132 S CB 0.633 63.833 63.200 -0.000 0.000 0.921 132 S HN 0.794 nan 8.310 nan 0.000 0.527 133 G N 2.003 110.814 108.800 0.018 0.000 2.200 133 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.268 133 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.268 133 G C 0.186 175.103 174.900 0.029 0.000 0.986 133 G CA 0.953 46.068 45.100 0.025 0.000 0.677 133 G HN 0.923 nan 8.290 nan 0.000 0.532 134 Q N 0.162 119.979 119.800 0.028 0.000 2.304 134 Q HA 0.161 4.499 4.340 -0.003 0.000 0.301 134 Q C 0.807 176.831 176.000 0.040 0.000 1.063 134 Q CA 0.520 56.342 55.803 0.032 0.000 0.947 134 Q CB 0.019 28.778 28.738 0.034 0.000 1.201 134 Q HN 0.380 nan 8.270 nan 0.000 0.389 135 N N 2.547 121.268 118.700 0.035 0.000 2.716 135 N HA -0.192 4.546 4.740 -0.003 0.000 0.250 135 N C -1.419 174.115 175.510 0.040 0.000 1.033 135 N CA 1.198 54.269 53.050 0.036 0.000 0.727 135 N CB -1.060 37.451 38.487 0.041 0.000 0.950 135 N HN 0.526 nan 8.380 nan 0.000 0.541 136 I N 0.317 120.909 120.570 0.037 0.000 2.502 136 I HA 0.174 4.342 4.170 -0.003 0.000 0.276 136 I C 0.312 176.447 176.117 0.030 0.000 1.057 136 I CA -0.713 60.611 61.300 0.041 0.000 1.163 136 I CB 0.846 38.876 38.000 0.050 0.000 1.288 136 I HN -0.133 nan 8.210 nan 0.000 0.479 137 R N 5.687 126.201 120.500 0.023 0.000 2.473 137 R HA 0.126 4.464 4.340 -0.003 0.000 0.315 137 R C -0.019 176.283 176.300 0.004 0.000 0.972 137 R CA 0.088 56.191 56.100 0.005 0.000 1.047 137 R CB 0.272 30.569 30.300 -0.005 0.000 0.932 137 R HN 0.501 nan 8.270 nan 0.000 0.411 138 R N 2.960 123.458 120.500 -0.003 0.000 2.532 138 R HA 0.190 4.528 4.340 -0.003 0.000 0.272 138 R C -0.005 176.278 176.300 -0.027 0.000 1.032 138 R CA -1.029 55.073 56.100 0.003 0.000 1.089 138 R CB 0.766 31.072 30.300 0.010 0.000 1.098 138 R HN 0.619 nan 8.270 nan 0.000 0.526 139 R N -0.001 120.488 120.500 -0.018 0.000 2.504 139 R HA 0.078 4.416 4.340 -0.003 0.000 0.291 139 R C 0.506 176.778 176.300 -0.046 0.000 0.974 139 R CA 0.976 57.044 56.100 -0.052 0.000 1.077 139 R CB -0.152 30.146 30.300 -0.003 0.000 0.926 139 R HN 0.910 nan 8.270 nan 0.000 0.407 140 G N 2.766 111.524 108.800 -0.071 0.000 2.143 140 G HA2 -0.385 3.573 3.960 -0.003 0.000 0.248 140 G HA3 -0.385 3.573 3.960 -0.003 0.000 0.248 140 G C 0.587 175.458 174.900 -0.049 0.000 0.991 140 G CA 0.580 45.646 45.100 -0.056 0.000 0.689 140 G HN 0.913 nan 8.290 nan 0.000 0.522 141 E N -0.347 119.823 120.200 -0.049 0.000 2.150 141 E HA -0.069 4.280 4.350 -0.003 0.000 0.193 141 E C 1.483 178.057 176.600 -0.044 0.000 0.985 141 E CA 1.336 57.713 56.400 -0.038 0.000 0.814 141 E CB -0.101 29.580 29.700 -0.032 0.000 0.752 141 E HN 0.419 nan 8.360 nan 0.000 0.466 142 D N 0.832 121.199 120.400 -0.054 0.000 2.290 142 D HA 0.170 4.808 4.640 -0.003 0.000 0.224 142 D C 0.772 177.032 176.300 -0.067 0.000 0.967 142 D CA 0.662 54.628 54.000 -0.056 0.000 0.893 142 D CB 0.542 41.309 40.800 -0.054 0.000 1.037 142 D HN 0.202 nan 8.370 nan 0.000 0.477 143 I N 0.893 121.422 120.570 -0.069 0.000 2.499 143 I HA 0.158 4.326 4.170 -0.003 0.000 0.288 143 I C -0.634 175.448 176.117 -0.058 0.000 1.048 143 I CA -0.696 60.561 61.300 -0.072 0.000 1.062 143 I CB 2.321 40.273 38.000 -0.080 0.000 1.238 143 I HN -0.214 nan 8.210 nan 0.000 0.426 144 S N 4.057 119.726 115.700 -0.051 0.000 2.525 144 S HA 0.720 5.188 4.470 -0.003 0.000 0.278 144 S C 0.220 174.801 174.600 -0.033 0.000 1.234 144 S CA -0.884 57.294 58.200 -0.037 0.000 1.058 144 S CB 1.718 64.900 63.200 -0.030 0.000 0.983 144 S HN 0.729 nan 8.310 nan 0.000 0.495 145 A N 1.810 124.616 122.820 -0.023 0.000 2.520 145 A HA 0.531 4.849 4.320 -0.003 0.000 0.235 145 A C 1.593 179.169 177.584 -0.013 0.000 1.065 145 A CA 0.154 52.181 52.037 -0.015 0.000 0.764 145 A CB -1.150 17.846 19.000 -0.006 0.000 1.002 145 A HN 2.249 nan 8.150 nan 0.000 0.502 146 G N -0.027 108.767 108.800 -0.011 0.000 2.267 146 G HA2 0.087 4.045 3.960 -0.003 0.000 0.257 146 G HA3 0.087 4.045 3.960 -0.003 0.000 0.257 146 G C 0.697 175.588 174.900 -0.015 0.000 0.998 146 G CA 0.909 46.003 45.100 -0.009 0.000 0.620 146 G HN 2.180 nan 8.290 nan 0.000 0.529 147 A N -0.519 122.286 122.820 -0.025 0.000 2.246 147 A HA 0.771 5.090 4.320 -0.003 0.000 0.291 147 A C 0.405 177.963 177.584 -0.044 0.000 1.103 147 A CA 0.283 52.299 52.037 -0.035 0.000 0.844 147 A CB 1.124 20.097 19.000 -0.046 0.000 1.136 147 A HN 1.105 nan 8.150 nan 0.000 0.500 148 V N 1.585 121.467 119.914 -0.053 0.000 2.334 148 V HA 0.163 4.281 4.120 -0.003 0.000 0.267 148 V C 0.958 176.975 176.094 -0.128 0.000 1.040 148 V CA -0.127 62.136 62.300 -0.061 0.000 0.866 148 V CB 0.652 32.451 31.823 -0.039 0.000 1.019 148 V HN 0.661 nan 8.190 nan 0.000 0.468 149 V N 4.497 124.308 119.914 -0.170 0.000 2.446 149 V HA 0.173 4.291 4.120 -0.003 0.000 0.244 149 V C 0.297 175.944 176.094 -0.744 0.000 1.039 149 V CA 1.311 63.361 62.300 -0.418 0.000 1.045 149 V CB -0.336 31.288 31.823 -0.332 0.000 0.681 149 V HN 0.681 nan 8.190 nan 0.000 0.459 150 F N 0.856 120.799 119.950 -0.011 0.000 2.607 150 F HA 0.486 5.011 4.527 -0.003 0.000 0.322 150 F C -2.626 173.166 175.800 -0.014 0.000 1.176 150 F CA -2.080 55.911 58.000 -0.014 0.000 0.977 150 F CB 2.136 41.126 39.000 -0.017 0.000 1.242 150 F HN -0.137 nan 8.300 nan 0.000 0.465 151 P HA 0.176 nan 4.420 nan 0.000 0.273 151 P C -0.635 176.708 177.300 0.071 0.000 1.250 151 P CA -0.323 62.826 63.100 0.081 0.000 0.793 151 P CB 0.808 32.541 31.700 0.056 0.000 1.011 152 A N 0.212 123.057 122.820 0.042 0.000 2.488 152 A HA 0.455 4.773 4.320 -0.003 0.000 0.249 152 A C 1.353 178.949 177.584 0.019 0.000 1.083 152 A CA 0.731 52.784 52.037 0.027 0.000 0.768 152 A CB -1.388 17.623 19.000 0.019 0.000 1.017 152 A HN 0.869 nan 8.150 nan 0.000 0.496 153 G N 1.717 110.520 108.800 0.005 0.000 2.201 153 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.212 153 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.212 153 G C 0.430 175.320 174.900 -0.017 0.000 0.994 153 G CA 0.202 45.298 45.100 -0.006 0.000 0.644 153 G HN 1.098 nan 8.290 nan 0.000 0.508 154 T N 2.003 116.551 114.554 -0.011 0.000 2.799 154 T HA 0.385 4.733 4.350 -0.003 0.000 0.296 154 T C 0.673 175.311 174.700 -0.103 0.000 0.947 154 T CA -0.088 61.990 62.100 -0.036 0.000 1.141 154 T CB 0.933 69.800 68.868 -0.001 0.000 0.891 154 T HN 0.412 nan 8.240 nan 0.000 0.533 155 R N 3.954 124.382 120.500 -0.120 0.000 2.370 155 R HA 0.168 4.506 4.340 -0.003 0.000 0.309 155 R C -0.174 175.969 176.300 -0.261 0.000 1.059 155 R CA -0.363 55.631 56.100 -0.176 0.000 0.981 155 R CB 0.125 30.328 30.300 -0.160 0.000 0.972 155 R HN 0.593 nan 8.270 nan 0.000 0.437 156 L N 5.474 126.512 121.223 -0.310 0.000 2.361 156 L HA 0.182 4.520 4.340 -0.003 0.000 0.278 156 L C 0.723 177.277 176.870 -0.527 0.000 1.113 156 L CA -0.040 54.578 54.840 -0.369 0.000 0.849 156 L CB 0.762 42.649 42.059 -0.287 0.000 1.155 156 L HN 0.801 nan 8.230 nan 0.000 0.452 157 T N -2.042 112.284 114.554 -0.380 0.000 2.773 157 T HA 0.204 4.553 4.350 -0.003 0.000 0.278 157 T C 0.904 175.593 174.700 -0.018 0.000 1.011 157 T CA -0.591 61.349 62.100 -0.268 0.000 1.014 157 T CB 1.558 70.333 68.868 -0.155 0.000 1.293 157 T HN 0.354 nan 8.240 nan 0.000 0.554 158 T N 0.701 115.355 114.554 0.166 0.000 2.977 158 T HA 0.045 4.394 4.350 -0.003 0.000 0.271 158 T C 2.135 176.866 174.700 0.050 0.000 1.105 158 T CA 1.277 63.450 62.100 0.122 0.000 1.116 158 T CB -0.805 68.141 68.868 0.130 0.000 0.878 158 T HN 0.739 nan 8.240 nan 0.000 0.509 159 A N 1.394 124.229 122.820 0.025 0.000 1.873 159 A HA -0.073 4.246 4.320 -0.003 0.000 0.215 159 A C 2.185 179.772 177.584 0.005 0.000 1.186 159 A CA 1.482 53.532 52.037 0.022 0.000 0.616 159 A CB -0.258 18.755 19.000 0.023 0.000 0.823 159 A HN 0.435 nan 8.150 nan 0.000 0.442 160 E N -0.236 119.873 120.200 -0.151 0.000 2.127 160 E HA 0.155 4.503 4.350 -0.003 0.000 0.191 160 E C 1.879 178.343 176.600 -0.226 0.000 0.964 160 E CA 0.323 56.481 56.400 -0.402 0.000 0.832 160 E CB -0.270 28.720 29.700 -1.183 0.000 0.790 160 E HN 0.515 nan 8.360 nan 0.000 0.465 161 L N 1.013 122.141 121.223 -0.159 0.000 2.083 161 L HA -0.107 4.231 4.340 -0.003 0.000 0.209 161 L C -0.713 176.162 176.870 0.009 0.000 1.083 161 L CA 1.188 55.987 54.840 -0.068 0.000 0.752 161 L CB -1.153 40.888 42.059 -0.031 0.000 0.899 161 L HN 0.162 nan 8.230 nan 0.000 0.433 162 P HA -0.110 nan 4.420 nan 0.000 0.218 162 P C 1.889 179.231 177.300 0.070 0.000 1.149 162 P CA 0.942 64.070 63.100 0.047 0.000 0.817 162 P CB 0.108 31.836 31.700 0.045 0.000 0.785 163 V N 0.145 120.127 119.914 0.114 0.000 2.270 163 V HA -0.235 3.884 4.120 -0.003 0.000 0.245 163 V C 2.386 178.564 176.094 0.140 0.000 1.043 163 V CA 1.567 63.956 62.300 0.147 0.000 1.014 163 V CB -1.134 30.843 31.823 0.257 0.000 0.645 163 V HN 0.046 nan 8.190 nan 0.000 0.447 164 I N 0.854 121.531 120.570 0.178 0.000 2.143 164 I HA -0.354 3.814 4.170 -0.003 0.000 0.245 164 I C 2.648 178.807 176.117 0.072 0.000 1.068 164 I CA 2.028 63.403 61.300 0.125 0.000 1.326 164 I CB -0.871 37.186 38.000 0.094 0.000 1.028 164 I HN 0.352 nan 8.210 nan 0.000 0.412 165 A N 0.838 123.692 122.820 0.057 0.000 1.969 165 A HA -0.187 4.132 4.320 -0.003 0.000 0.218 165 A C 2.487 180.094 177.584 0.039 0.000 1.169 165 A CA 1.843 53.905 52.037 0.041 0.000 0.635 165 A CB -0.706 18.315 19.000 0.035 0.000 0.810 165 A HN 0.555 nan 8.150 nan 0.000 0.445 166 S N -0.127 115.599 115.700 0.043 0.000 2.442 166 S HA -0.041 4.427 4.470 -0.003 0.000 0.236 166 S C 1.379 175.996 174.600 0.028 0.000 1.007 166 S CA 1.353 59.573 58.200 0.034 0.000 0.965 166 S CB -0.539 62.682 63.200 0.035 0.000 0.773 166 S HN 0.458 nan 8.310 nan 0.000 0.504 167 L N 0.565 121.808 121.223 0.033 0.000 2.628 167 L HA 0.429 4.767 4.340 -0.003 0.000 0.229 167 L C 1.775 178.660 176.870 0.026 0.000 1.137 167 L CA 0.208 55.063 54.840 0.026 0.000 0.909 167 L CB -0.392 41.684 42.059 0.029 0.000 1.137 167 L HN 0.534 nan 8.230 nan 0.000 0.470 168 G N 0.814 109.630 108.800 0.028 0.000 2.176 168 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.253 168 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.253 168 G C 0.272 175.188 174.900 0.026 0.000 0.979 168 G CA -0.238 44.878 45.100 0.026 0.000 0.641 168 G HN 0.288 nan 8.290 nan 0.000 0.530 169 I N 0.969 121.556 120.570 0.029 0.000 2.529 169 I HA 0.439 4.607 4.170 -0.003 0.000 0.284 169 I C 1.538 177.671 176.117 0.026 0.000 1.082 169 I CA 0.353 61.670 61.300 0.029 0.000 1.406 169 I CB 1.503 39.525 38.000 0.036 0.000 1.405 169 I HN 0.151 nan 8.210 nan 0.000 0.548 170 A N 5.500 128.334 122.820 0.022 0.000 2.197 170 A HA 0.192 4.510 4.320 -0.003 0.000 0.210 170 A C 0.361 177.956 177.584 0.018 0.000 1.180 170 A CA 0.347 52.396 52.037 0.020 0.000 0.846 170 A CB 0.059 19.070 19.000 0.017 0.000 0.884 170 A HN 0.824 nan 8.150 nan 0.000 0.487 171 E N -1.083 119.128 120.200 0.018 0.000 2.390 171 E HA 0.542 4.890 4.350 -0.003 0.000 0.280 171 E C -1.106 175.503 176.600 0.015 0.000 0.992 171 E CA -0.917 55.492 56.400 0.015 0.000 0.790 171 E CB 1.708 31.416 29.700 0.013 0.000 1.248 171 E HN 0.367 nan 8.360 nan 0.000 0.447 172 V N -2.710 117.210 119.914 0.010 0.000 3.007 172 V HA 0.726 4.845 4.120 -0.003 0.000 0.311 172 V C -2.827 173.271 176.094 0.006 0.000 1.120 172 V CA -2.695 59.611 62.300 0.010 0.000 0.980 172 V CB 1.777 33.604 31.823 0.006 0.000 1.033 172 V HN 0.658 nan 8.190 nan 0.000 0.429 173 P HA 0.445 nan 4.420 nan 0.000 0.281 173 P C -0.668 176.632 177.300 -0.000 0.000 1.252 173 P CA -0.020 63.084 63.100 0.006 0.000 0.778 173 P CB 1.492 33.197 31.700 0.010 0.000 0.895 174 V N 1.627 121.540 119.914 -0.003 0.000 2.971 174 V HA 0.444 4.562 4.120 -0.003 0.000 0.309 174 V C -0.143 175.948 176.094 -0.005 0.000 1.130 174 V CA -1.366 60.928 62.300 -0.010 0.000 0.964 174 V CB 1.542 33.353 31.823 -0.020 0.000 1.029 174 V HN 0.148 nan 8.190 nan 0.000 0.427 175 I N 3.833 124.399 120.570 -0.006 0.000 2.932 175 I HA 0.184 4.352 4.170 -0.003 0.000 0.295 175 I C 1.303 177.421 176.117 0.002 0.000 1.227 175 I CA 0.592 61.892 61.300 0.000 0.000 1.429 175 I CB 0.149 38.149 38.000 -0.001 0.000 1.339 175 I HN 1.004 nan 8.210 nan 0.000 0.589 176 R N 5.548 126.053 120.500 0.009 0.000 2.738 176 R HA 0.188 4.526 4.340 -0.003 0.000 0.268 176 R C -0.366 175.941 176.300 0.012 0.000 1.062 176 R CA -0.494 55.613 56.100 0.011 0.000 1.158 176 R CB 0.282 30.592 30.300 0.016 0.000 1.046 176 R HN 0.408 nan 8.270 nan 0.000 0.493 177 K N 1.178 121.586 120.400 0.013 0.000 2.414 177 K HA 0.037 4.355 4.320 -0.003 0.000 0.272 177 K C -0.143 176.468 176.600 0.019 0.000 0.993 177 K CA -0.323 55.971 56.287 0.013 0.000 0.964 177 K CB 0.865 33.374 32.500 0.015 0.000 0.925 177 K HN 0.296 nan 8.250 nan 0.000 0.487 178 V N 3.239 123.164 119.914 0.019 0.000 2.843 178 V HA 0.030 4.148 4.120 -0.003 0.000 0.305 178 V C 0.343 176.455 176.094 0.030 0.000 1.065 178 V CA 0.246 62.564 62.300 0.030 0.000 1.116 178 V CB 0.689 32.529 31.823 0.028 0.000 0.968 178 V HN 0.643 nan 8.190 nan 0.000 0.487 179 R N 3.336 123.861 120.500 0.041 0.000 2.480 179 R HA 0.697 5.036 4.340 -0.003 0.000 0.306 179 R C -1.679 174.648 176.300 0.046 0.000 0.958 179 R CA -0.559 55.562 56.100 0.035 0.000 0.861 179 R CB 2.058 32.380 30.300 0.037 0.000 1.171 179 R HN 0.481 nan 8.270 nan 0.000 0.445 180 V N 2.280 122.210 119.914 0.027 0.000 2.525 180 V HA 0.518 4.636 4.120 -0.003 0.000 0.299 180 V C -0.367 175.730 176.094 0.005 0.000 1.034 180 V CA -0.907 61.412 62.300 0.033 0.000 0.863 180 V CB 1.753 33.593 31.823 0.029 0.000 0.999 180 V HN 0.911 nan 8.190 nan 0.000 0.423 181 A N 5.606 128.450 122.820 0.039 0.000 2.306 181 A HA 0.912 5.230 4.320 -0.003 0.000 0.314 181 A C -0.829 176.779 177.584 0.039 0.000 1.164 181 A CA -0.493 51.576 52.037 0.053 0.000 0.822 181 A CB 1.096 20.159 19.000 0.103 0.000 1.130 181 A HN 0.842 nan 8.150 nan 0.000 0.496 182 L N 3.003 124.253 121.223 0.046 0.000 2.436 182 L HA 0.848 5.187 4.340 -0.003 0.000 0.268 182 L C -1.741 175.194 176.870 0.108 0.000 0.974 182 L CA -0.731 54.089 54.840 -0.034 0.000 0.826 182 L CB 1.785 43.795 42.059 -0.081 0.000 1.291 182 L HN 0.935 nan 8.230 nan 0.000 0.406 183 F N 1.579 121.509 119.950 -0.033 0.000 2.719 183 F HA 0.732 5.258 4.527 -0.002 0.000 0.309 183 F C -0.867 174.928 175.800 -0.008 0.000 1.138 183 F CA -0.649 57.331 58.000 -0.033 0.000 0.943 183 F CB 1.262 40.215 39.000 -0.078 0.000 1.304 183 F HN 0.407 nan 8.300 nan 0.000 0.445 184 S N 0.572 116.431 115.700 0.265 0.000 2.751 184 S HA 0.938 5.406 4.470 -0.003 0.000 0.310 184 S C -0.872 173.881 174.600 0.256 0.000 1.128 184 S CA -0.190 58.122 58.200 0.186 0.000 0.931 184 S CB 2.030 65.292 63.200 0.103 0.000 1.177 184 S HN 1.361 nan 8.310 nan 0.000 0.530 185 T N -1.421 113.244 114.554 0.185 0.000 2.775 185 T HA 0.638 4.986 4.350 -0.003 0.000 0.320 185 T C -0.843 173.935 174.700 0.131 0.000 1.597 185 T CA 0.414 62.616 62.100 0.170 0.000 1.022 185 T CB 0.794 69.794 68.868 0.219 0.000 1.485 185 T HN 2.461 nan 8.240 nan 0.000 0.494 186 G N 2.002 110.878 108.800 0.127 0.000 2.653 186 G HA2 0.101 4.060 3.960 -0.003 0.000 0.656 186 G HA3 0.101 4.060 3.960 -0.003 0.000 0.656 186 G C -0.028 174.921 174.900 0.082 0.000 1.419 186 G CA 0.015 45.179 45.100 0.107 0.000 0.862 186 G HN 0.666 nan 8.290 nan 0.000 0.639 187 D N 0.693 121.140 120.400 0.078 0.000 2.263 187 D HA -0.068 4.570 4.640 -0.003 0.000 0.208 187 D C 2.109 178.426 176.300 0.028 0.000 0.971 187 D CA 1.613 55.644 54.000 0.051 0.000 0.867 187 D CB 0.300 41.129 40.800 0.049 0.000 0.929 187 D HN 0.704 nan 8.370 nan 0.000 0.492 188 E N 0.105 120.321 120.200 0.026 0.000 2.274 188 E HA -0.015 4.333 4.350 -0.003 0.000 0.194 188 E C 0.654 177.244 176.600 -0.017 0.000 0.996 188 E CA 0.344 56.745 56.400 0.001 0.000 0.840 188 E CB -0.158 29.546 29.700 0.006 0.000 0.772 188 E HN 0.272 nan 8.360 nan 0.000 0.491 189 L N 1.234 122.462 121.223 0.008 0.000 2.326 189 L HA 0.411 4.749 4.340 -0.003 0.000 0.278 189 L C -0.087 176.788 176.870 0.008 0.000 1.092 189 L CA -0.671 54.175 54.840 0.010 0.000 0.810 189 L CB 0.830 42.915 42.059 0.044 0.000 1.153 189 L HN -0.023 nan 8.230 nan 0.000 0.439 190 Q N 2.012 121.813 119.800 0.002 0.000 2.423 190 Q HA 0.627 4.965 4.340 -0.003 0.000 0.278 190 Q C -1.181 174.935 176.000 0.193 0.000 1.097 190 Q CA -0.495 55.332 55.803 0.041 0.000 0.809 190 Q CB 2.517 31.210 28.738 -0.075 0.000 1.391 190 Q HN 0.439 nan 8.270 nan 0.000 0.428 191 L N 3.036 124.368 121.223 0.182 0.000 2.399 191 L HA 0.553 4.891 4.340 -0.003 0.000 0.266 191 L C -2.014 174.978 176.870 0.204 0.000 1.114 191 L CA -2.023 52.920 54.840 0.172 0.000 0.804 191 L CB 0.660 42.768 42.059 0.082 0.000 1.146 191 L HN 0.511 nan 8.230 nan 0.000 0.451 192 P HA 0.013 nan 4.420 nan 0.000 0.261 192 P C 0.599 177.876 177.300 -0.038 0.000 1.173 192 P CA 1.334 64.341 63.100 -0.154 0.000 0.760 192 P CB 0.630 32.227 31.700 -0.171 0.000 0.783 193 G N 2.246 111.026 108.800 -0.033 0.000 4.244 193 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.222 193 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.222 193 G C -0.082 174.875 174.900 0.095 0.000 1.665 193 G CA -0.442 44.671 45.100 0.023 0.000 1.315 193 G HN 0.566 nan 8.290 nan 0.000 0.637 194 Q N 2.778 122.652 119.800 0.124 0.000 2.379 194 Q HA 0.291 4.629 4.340 -0.003 0.000 0.320 194 Q C -1.713 174.377 176.000 0.150 0.000 1.153 194 Q CA 0.200 56.074 55.803 0.119 0.000 0.993 194 Q CB 0.315 29.115 28.738 0.105 0.000 1.265 194 Q HN 0.532 nan 8.270 nan 0.000 0.423 195 P HA 0.077 nan 4.420 nan 0.000 0.275 195 P C -1.087 176.208 177.300 -0.009 0.000 1.266 195 P CA -0.403 62.731 63.100 0.056 0.000 0.793 195 P CB 0.605 32.322 31.700 0.027 0.000 1.074 196 L N 0.839 122.034 121.223 -0.047 0.000 2.262 196 L HA 0.406 4.745 4.340 -0.003 0.000 0.288 196 L C 1.222 178.046 176.870 -0.077 0.000 1.035 196 L CA 0.127 54.884 54.840 -0.138 0.000 0.820 196 L CB 0.151 42.095 42.059 -0.193 0.000 1.204 196 L HN 0.597 nan 8.230 nan 0.000 0.424 197 G N 3.124 111.881 108.800 -0.073 0.000 2.311 197 G HA2 -0.082 3.877 3.960 -0.003 0.000 0.274 197 G HA3 -0.082 3.877 3.960 -0.003 0.000 0.274 197 G C 0.381 175.256 174.900 -0.042 0.000 1.511 197 G CA 0.680 45.754 45.100 -0.044 0.000 1.041 197 G HN 0.707 nan 8.290 nan 0.000 0.527 198 D N -0.089 120.293 120.400 -0.030 0.000 2.119 198 D HA 0.172 4.811 4.640 -0.003 0.000 0.231 198 D C 1.903 178.186 176.300 -0.029 0.000 0.999 198 D CA 0.952 54.938 54.000 -0.023 0.000 0.915 198 D CB -0.875 39.918 40.800 -0.011 0.000 1.017 198 D HN 0.503 nan 8.370 nan 0.000 0.437 199 G N 0.152 108.939 108.800 -0.022 0.000 3.541 199 G HA2 0.166 4.124 3.960 -0.003 0.000 0.253 199 G HA3 0.166 4.124 3.960 -0.003 0.000 0.253 199 G C -0.328 174.550 174.900 -0.036 0.000 1.017 199 G CA -0.328 44.759 45.100 -0.021 0.000 1.832 199 G HN 0.027 nan 8.290 nan 0.000 0.649 200 Q N -0.032 119.727 119.800 -0.068 0.000 2.301 200 Q HA 0.710 5.048 4.340 -0.003 0.000 0.267 200 Q C -0.262 175.638 176.000 -0.166 0.000 1.035 200 Q CA -0.717 55.020 55.803 -0.111 0.000 0.856 200 Q CB 2.846 31.502 28.738 -0.137 0.000 1.337 200 Q HN 0.562 nan 8.270 nan 0.000 0.450 201 I N -2.765 117.687 120.570 -0.196 0.000 3.095 201 I HA 0.499 4.668 4.170 -0.003 0.000 0.310 201 I C -1.355 174.601 176.117 -0.269 0.000 1.196 201 I CA -1.309 59.870 61.300 -0.201 0.000 0.985 201 I CB 1.612 39.579 38.000 -0.055 0.000 1.250 201 I HN 0.477 nan 8.210 nan 0.000 0.446 202 Y N 0.525 120.820 120.300 -0.009 0.000 2.320 202 Y HA 0.296 4.844 4.550 -0.003 0.000 0.324 202 Y C 0.366 176.254 175.900 -0.020 0.000 1.190 202 Y CA -0.125 57.967 58.100 -0.014 0.000 1.215 202 Y CB 0.685 39.131 38.460 -0.022 0.000 1.221 202 Y HN 0.506 nan 8.280 nan 0.000 0.486 203 D N 1.079 121.569 120.400 0.149 0.000 2.450 203 D HA 0.006 4.644 4.640 -0.003 0.000 0.247 203 D C 0.727 177.048 176.300 0.035 0.000 1.162 203 D CA 0.521 54.564 54.000 0.071 0.000 0.879 203 D CB 1.019 41.858 40.800 0.065 0.000 1.163 203 D HN 0.778 nan 8.370 nan 0.000 0.472 204 T N 0.099 114.645 114.554 -0.012 0.000 2.964 204 T HA 0.036 4.384 4.350 -0.003 0.000 0.250 204 T C 1.322 175.953 174.700 -0.115 0.000 0.982 204 T CA -0.330 61.720 62.100 -0.083 0.000 0.959 204 T CB 0.008 68.788 68.868 -0.147 0.000 1.141 204 T HN 0.130 nan 8.240 nan 0.000 0.494 205 N N 1.877 120.530 118.700 -0.079 0.000 2.166 205 N HA 0.024 4.762 4.740 -0.003 0.000 0.186 205 N C 1.897 177.355 175.510 -0.086 0.000 1.019 205 N CA 1.087 54.089 53.050 -0.080 0.000 0.856 205 N CB -0.361 38.109 38.487 -0.028 0.000 0.993 205 N HN 0.442 nan 8.380 nan 0.000 0.426 206 R N 0.676 121.145 120.500 -0.050 0.000 2.073 206 R HA 0.020 4.358 4.340 -0.003 0.000 0.234 206 R C 2.188 178.475 176.300 -0.022 0.000 1.134 206 R CA 0.762 56.842 56.100 -0.033 0.000 0.952 206 R CB -0.400 29.907 30.300 0.012 0.000 0.850 206 R HN 0.184 nan 8.270 nan 0.000 0.433 207 L N 0.191 121.392 121.223 -0.036 0.000 2.042 207 L HA -0.169 4.169 4.340 -0.003 0.000 0.210 207 L C 2.271 179.099 176.870 -0.070 0.000 1.076 207 L CA 1.830 56.642 54.840 -0.047 0.000 0.749 207 L CB -0.587 41.423 42.059 -0.081 0.000 0.893 207 L HN 0.372 nan 8.230 nan 0.000 0.432 208 A N -0.757 121.990 122.820 -0.121 0.000 1.902 208 A HA -0.161 4.157 4.320 -0.003 0.000 0.217 208 A C 2.139 179.585 177.584 -0.232 0.000 1.181 208 A CA 1.847 53.791 52.037 -0.155 0.000 0.623 208 A CB -0.760 18.137 19.000 -0.171 0.000 0.818 208 A HN 0.333 nan 8.150 nan 0.000 0.443 209 V N -0.531 119.219 119.914 -0.273 0.000 2.548 209 V HA -0.200 3.918 4.120 -0.003 0.000 0.249 209 V C 2.457 178.362 176.094 -0.314 0.000 1.055 209 V CA 1.878 63.889 62.300 -0.482 0.000 1.065 209 V CB -1.012 30.558 31.823 -0.422 0.000 0.681 209 V HN 0.713 nan 8.190 nan 0.000 0.462 210 H N 0.571 119.513 119.070 -0.213 0.000 2.267 210 H HA -0.124 4.431 4.556 -0.003 0.000 0.297 210 H C 2.256 177.504 175.328 -0.133 0.000 1.080 210 H CA 2.188 58.155 56.048 -0.135 0.000 1.278 210 H CB -0.245 29.463 29.762 -0.091 0.000 1.365 210 H HN 0.316 nan 8.280 nan 0.000 0.489 211 L N -0.139 121.123 121.223 0.065 0.000 2.079 211 L HA -0.244 4.094 4.340 -0.003 0.000 0.210 211 L C 2.991 179.841 176.870 -0.033 0.000 1.081 211 L CA 1.409 56.256 54.840 0.012 0.000 0.752 211 L CB -0.329 41.703 42.059 -0.046 0.000 0.896 211 L HN 0.294 nan 8.230 nan 0.000 0.433 212 M N -1.112 118.414 119.600 -0.122 0.000 2.193 212 M HA -0.156 4.322 4.480 -0.003 0.000 0.265 212 M C 2.329 178.615 176.300 -0.022 0.000 1.071 212 M CA 1.471 56.700 55.300 -0.118 0.000 1.140 212 M CB -0.375 32.097 32.600 -0.213 0.000 1.369 212 M HN 0.190 nan 8.290 nan 0.000 0.423 213 L N 0.191 121.384 121.223 -0.050 0.000 2.051 213 L HA -0.263 4.075 4.340 -0.003 0.000 0.214 213 L C 2.456 179.331 176.870 0.007 0.000 1.076 213 L CA 1.541 56.387 54.840 0.011 0.000 0.758 213 L CB -0.599 41.412 42.059 -0.079 0.000 0.890 213 L HN 0.412 nan 8.230 nan 0.000 0.433 214 E N -0.960 119.252 120.200 0.021 0.000 2.158 214 E HA -0.185 4.163 4.350 -0.003 0.000 0.191 214 E C 2.225 178.845 176.600 0.033 0.000 0.982 214 E CA 0.509 56.938 56.400 0.047 0.000 0.823 214 E CB 0.246 30.009 29.700 0.105 0.000 0.766 214 E HN 0.376 nan 8.360 nan 0.000 0.468 215 Q N 0.066 119.876 119.800 0.018 0.000 2.187 215 Q HA -0.015 4.323 4.340 -0.003 0.000 0.199 215 Q C 2.055 178.066 176.000 0.018 0.000 0.957 215 Q CA 0.689 56.499 55.803 0.010 0.000 0.857 215 Q CB 0.027 28.755 28.738 -0.018 0.000 0.929 215 Q HN 0.337 nan 8.270 nan 0.000 0.453 216 L N -1.014 120.217 121.223 0.013 0.000 2.552 216 L HA 0.063 4.401 4.340 -0.003 0.000 0.227 216 L C 1.096 177.973 176.870 0.013 0.000 1.146 216 L CA 0.653 55.496 54.840 0.006 0.000 0.858 216 L CB -0.130 41.935 42.059 0.010 0.000 0.969 216 L HN 0.378 nan 8.230 nan 0.000 0.451 217 G N -1.254 107.562 108.800 0.025 0.000 2.157 217 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.239 217 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.239 217 G C 0.321 175.232 174.900 0.019 0.000 0.982 217 G CA -0.099 45.018 45.100 0.029 0.000 0.650 217 G HN 0.295 nan 8.290 nan 0.000 0.527 218 C N 0.314 119.623 119.300 0.015 0.000 2.649 218 C HA 0.549 5.007 4.460 -0.003 0.000 0.377 218 C C 1.017 176.010 174.990 0.005 0.000 1.321 218 C CA -0.227 58.797 59.018 0.010 0.000 2.368 218 C CB 0.906 28.650 27.740 0.006 0.000 2.597 218 C HN 0.554 nan 8.230 nan 0.000 0.678 219 E N 0.425 120.628 120.200 0.003 0.000 2.081 219 E HA 0.407 4.755 4.350 -0.003 0.000 0.281 219 E C -0.972 175.611 176.600 -0.028 0.000 0.986 219 E CA -0.165 56.235 56.400 0.000 0.000 0.796 219 E CB 0.799 30.506 29.700 0.012 0.000 1.085 219 E HN 0.445 nan 8.360 nan 0.000 0.398 220 V N 5.755 125.626 119.914 -0.071 0.000 2.509 220 V HA 0.322 4.440 4.120 -0.003 0.000 0.284 220 V C 0.074 176.117 176.094 -0.084 0.000 1.047 220 V CA -0.415 61.782 62.300 -0.172 0.000 0.952 220 V CB 1.157 32.669 31.823 -0.520 0.000 0.988 220 V HN 0.564 nan 8.190 nan 0.000 0.469 221 I N 4.158 124.693 120.570 -0.058 0.000 2.448 221 I HA 0.367 4.535 4.170 -0.003 0.000 0.281 221 I C -0.209 175.920 176.117 0.019 0.000 1.027 221 I CA -0.089 61.212 61.300 0.002 0.000 1.111 221 I CB 1.275 39.288 38.000 0.022 0.000 1.236 221 I HN 0.600 nan 8.210 nan 0.000 0.452 222 N N 6.042 124.772 118.700 0.050 0.000 2.501 222 N HA 0.319 5.058 4.740 -0.003 0.000 0.245 222 N C -0.058 175.504 175.510 0.087 0.000 0.974 222 N CA -0.497 52.604 53.050 0.084 0.000 0.941 222 N CB 0.807 39.397 38.487 0.172 0.000 1.122 222 N HN 0.464 nan 8.380 nan 0.000 0.507 223 L N 3.209 124.491 121.223 0.098 0.000 2.688 223 L HA 0.381 4.719 4.340 -0.003 0.000 0.234 223 L C 1.516 178.421 176.870 0.058 0.000 1.192 223 L CA 0.296 55.170 54.840 0.057 0.000 0.984 223 L CB -1.339 40.729 42.059 0.014 0.000 1.232 223 L HN 0.826 nan 8.230 nan 0.000 0.465 224 G N 0.604 109.454 108.800 0.083 0.000 2.575 224 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.267 224 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.267 224 G C 0.227 175.187 174.900 0.100 0.000 1.264 224 G CA -0.115 45.031 45.100 0.076 0.000 0.935 224 G HN 0.194 nan 8.290 nan 0.000 0.568 225 I N 1.889 122.504 120.570 0.076 0.000 2.310 225 I HA 0.225 4.394 4.170 -0.003 0.000 0.287 225 I C 0.603 176.755 176.117 0.059 0.000 1.073 225 I CA -0.793 60.560 61.300 0.087 0.000 1.216 225 I CB 0.503 38.547 38.000 0.074 0.000 1.415 225 I HN 0.230 nan 8.210 nan 0.000 0.480 226 I N 5.841 126.438 120.570 0.045 0.000 2.826 226 I HA -0.059 4.109 4.170 -0.003 0.000 0.295 226 I C 1.156 177.299 176.117 0.043 0.000 1.213 226 I CA 0.344 61.636 61.300 -0.013 0.000 1.436 226 I CB -0.307 37.625 38.000 -0.112 0.000 1.348 226 I HN 0.731 nan 8.210 nan 0.000 0.570 227 R N 5.051 125.569 120.500 0.029 0.000 2.641 227 R HA 0.502 4.840 4.340 -0.003 0.000 0.269 227 R C 0.019 176.358 176.300 0.064 0.000 1.074 227 R CA -0.545 55.581 56.100 0.043 0.000 1.133 227 R CB 0.425 30.738 30.300 0.022 0.000 1.029 227 R HN 0.657 nan 8.270 nan 0.000 0.488 228 A N 2.633 125.495 122.820 0.071 0.000 2.899 228 A HA 0.118 4.436 4.320 -0.003 0.000 0.287 228 A C -0.705 176.841 177.584 -0.064 0.000 1.715 228 A CA 0.091 52.190 52.037 0.104 0.000 1.393 228 A CB -0.902 18.169 19.000 0.117 0.000 1.070 228 A HN 0.808 nan 8.150 nan 0.000 0.587 229 D N 1.833 122.160 120.400 -0.121 0.000 2.931 229 D HA 0.357 4.996 4.640 -0.003 0.000 0.215 229 D C -2.220 173.929 176.300 -0.253 0.000 1.297 229 D CA -1.186 52.663 54.000 -0.252 0.000 0.892 229 D CB 1.711 42.466 40.800 -0.076 0.000 1.642 229 D HN 0.027 nan 8.370 nan 0.000 0.560 230 P HA -0.178 nan 4.420 nan 0.000 0.221 230 P C 0.795 178.002 177.300 -0.155 0.000 1.145 230 P CA 1.104 64.073 63.100 -0.219 0.000 0.795 230 P CB 0.161 31.672 31.700 -0.317 0.000 0.775 231 H N 0.078 119.128 119.070 -0.034 0.000 2.306 231 H HA 0.131 4.686 4.556 -0.002 0.000 0.307 231 H C 2.207 177.532 175.328 -0.006 0.000 1.061 231 H CA 1.346 57.385 56.048 -0.015 0.000 1.359 231 H CB -0.986 28.757 29.762 -0.033 0.000 1.407 231 H HN 0.036 nan 8.280 nan 0.000 0.517 232 A N 2.030 124.916 122.820 0.111 0.000 1.929 232 A HA -0.212 4.107 4.320 -0.003 0.000 0.221 232 A C 2.621 180.209 177.584 0.007 0.000 1.211 232 A CA 1.835 53.893 52.037 0.036 0.000 0.657 232 A CB -1.150 17.861 19.000 0.017 0.000 0.827 232 A HN 0.353 nan 8.150 nan 0.000 0.462 233 L N -1.177 120.082 121.223 0.061 0.000 2.005 233 L HA -0.199 4.139 4.340 -0.003 0.000 0.207 233 L C 2.887 179.853 176.870 0.159 0.000 1.072 233 L CA 1.962 56.859 54.840 0.094 0.000 0.744 233 L CB -0.540 41.682 42.059 0.271 0.000 0.895 233 L HN 0.462 nan 8.230 nan 0.000 0.433 234 R N -0.272 120.320 120.500 0.154 0.000 2.113 234 R HA -0.244 4.095 4.340 -0.003 0.000 0.244 234 R C 2.205 178.576 176.300 0.119 0.000 1.142 234 R CA 1.734 57.918 56.100 0.140 0.000 0.953 234 R CB -0.617 29.732 30.300 0.082 0.000 0.860 234 R HN 0.472 nan 8.270 nan 0.000 0.438 235 A N 1.040 123.893 122.820 0.054 0.000 1.930 235 A HA -0.041 4.277 4.320 -0.003 0.000 0.217 235 A C 2.384 179.928 177.584 -0.067 0.000 1.175 235 A CA 1.447 53.486 52.037 0.003 0.000 0.627 235 A CB -0.545 18.451 19.000 -0.008 0.000 0.815 235 A HN 0.415 nan 8.150 nan 0.000 0.443 236 A N -1.109 121.601 122.820 -0.183 0.000 1.940 236 A HA -0.046 4.272 4.320 -0.003 0.000 0.219 236 A C 1.984 179.324 177.584 -0.406 0.000 1.176 236 A CA 1.546 53.306 52.037 -0.461 0.000 0.631 236 A CB -0.684 17.742 19.000 -0.956 0.000 0.814 236 A HN 0.498 nan 8.150 nan 0.000 0.446 237 F N -0.452 119.387 119.950 -0.185 0.000 2.149 237 F HA -0.001 4.524 4.527 -0.003 0.000 0.294 237 F C 2.130 177.914 175.800 -0.027 0.000 1.095 237 F CA 1.146 59.118 58.000 -0.047 0.000 1.276 237 F CB -0.297 38.678 39.000 -0.042 0.000 1.023 237 F HN 0.074 nan 8.300 nan 0.000 0.480 238 I N 0.463 121.120 120.570 0.146 0.000 2.185 238 I HA -0.354 3.814 4.170 -0.003 0.000 0.246 238 I C 2.401 178.542 176.117 0.040 0.000 1.088 238 I CA 2.122 63.463 61.300 0.068 0.000 1.347 238 I CB -0.437 37.585 38.000 0.038 0.000 1.041 238 I HN 0.223 nan 8.210 nan 0.000 0.415 239 E N 1.196 121.405 120.200 0.015 0.000 2.122 239 E HA -0.105 4.243 4.350 -0.003 0.000 0.190 239 E C 2.136 178.748 176.600 0.020 0.000 0.977 239 E CA 1.083 57.484 56.400 0.001 0.000 0.820 239 E CB -0.126 29.556 29.700 -0.030 0.000 0.770 239 E HN 0.380 nan 8.360 nan 0.000 0.462 240 A N 1.506 124.345 122.820 0.030 0.000 1.855 240 A HA -0.227 4.091 4.320 -0.003 0.000 0.215 240 A C 2.227 179.871 177.584 0.100 0.000 1.191 240 A CA 1.715 53.803 52.037 0.085 0.000 0.613 240 A CB -1.019 18.073 19.000 0.153 0.000 0.829 240 A HN 0.521 nan 8.150 nan 0.000 0.442 241 D N 0.143 120.614 120.400 0.118 0.000 2.182 241 D HA -0.162 4.476 4.640 -0.003 0.000 0.201 241 D C 2.076 178.401 176.300 0.043 0.000 0.986 241 D CA 1.806 55.858 54.000 0.087 0.000 0.847 241 D CB 0.058 40.908 40.800 0.084 0.000 0.942 241 D HN 0.508 nan 8.370 nan 0.000 0.467 242 S N -0.834 114.888 115.700 0.037 0.000 2.461 242 S HA -0.062 4.406 4.470 -0.003 0.000 0.228 242 S C 1.444 176.057 174.600 0.021 0.000 1.005 242 S CA 0.528 58.740 58.200 0.021 0.000 0.942 242 S CB 0.252 63.461 63.200 0.015 0.000 0.776 242 S HN 0.155 nan 8.310 nan 0.000 0.514 243 Q N 0.361 120.179 119.800 0.031 0.000 2.149 243 Q HA 0.591 4.929 4.340 -0.003 0.000 0.221 243 Q C 0.052 176.076 176.000 0.039 0.000 0.807 243 Q CA 0.321 56.142 55.803 0.030 0.000 1.000 243 Q CB 1.004 29.758 28.738 0.027 0.000 1.157 243 Q HN 0.615 nan 8.270 nan 0.000 0.487 244 A N 0.087 122.937 122.820 0.050 0.000 2.485 244 A HA 0.585 4.903 4.320 -0.003 0.000 0.292 244 A C -0.222 177.403 177.584 0.068 0.000 1.147 244 A CA -0.491 51.583 52.037 0.062 0.000 0.750 244 A CB 1.126 20.173 19.000 0.079 0.000 1.331 244 A HN -0.081 nan 8.150 nan 0.000 0.419 245 D N -0.641 119.812 120.400 0.089 0.000 2.327 245 D HA 0.189 4.827 4.640 -0.003 0.000 0.205 245 D C -0.065 176.357 176.300 0.203 0.000 0.989 245 D CA 1.198 55.275 54.000 0.128 0.000 0.873 245 D CB 0.701 41.586 40.800 0.141 0.000 0.955 245 D HN 0.198 nan 8.370 nan 0.000 0.515 246 V N 1.247 121.266 119.914 0.176 0.000 2.760 246 V HA 0.333 4.451 4.120 -0.003 0.000 0.309 246 V C -0.327 175.858 176.094 0.152 0.000 1.077 246 V CA -0.895 61.528 62.300 0.204 0.000 0.910 246 V CB 2.956 34.891 31.823 0.187 0.000 1.008 246 V HN -0.273 nan 8.190 nan 0.000 0.424 247 V N 5.331 125.355 119.914 0.183 0.000 2.448 247 V HA 0.586 4.704 4.120 -0.003 0.000 0.295 247 V C -0.484 175.648 176.094 0.063 0.000 1.025 247 V CA -0.401 62.003 62.300 0.174 0.000 0.859 247 V CB 1.878 33.899 31.823 0.330 0.000 0.988 247 V HN 0.715 nan 8.190 nan 0.000 0.431 248 I N 3.166 123.671 120.570 -0.109 0.000 2.447 248 I HA 0.328 4.496 4.170 -0.003 0.000 0.287 248 I C 0.090 175.955 176.117 -0.419 0.000 1.023 248 I CA -0.265 60.896 61.300 -0.232 0.000 1.083 248 I CB 2.192 40.136 38.000 -0.093 0.000 1.245 248 I HN 0.612 nan 8.210 nan 0.000 0.434 249 S N 3.672 119.123 115.700 -0.415 0.000 2.400 249 S HA 0.076 4.544 4.470 -0.003 0.000 0.295 249 S C 1.311 175.802 174.600 -0.182 0.000 1.113 249 S CA -0.266 57.700 58.200 -0.390 0.000 1.064 249 S CB 0.636 63.809 63.200 -0.045 0.000 0.990 249 S HN 0.768 nan 8.310 nan 0.000 0.502 250 S N 4.055 119.657 115.700 -0.164 0.000 2.474 250 S HA 0.321 4.790 4.470 -0.003 0.000 0.235 250 S C 0.953 175.550 174.600 -0.004 0.000 0.997 250 S CA 0.443 58.602 58.200 -0.069 0.000 0.949 250 S CB -0.513 62.649 63.200 -0.063 0.000 0.766 250 S HN 1.415 nan 8.310 nan 0.000 0.517 251 G N -2.417 106.393 108.800 0.016 0.000 2.358 251 G HA2 0.523 4.481 3.960 -0.003 0.000 0.303 251 G HA3 0.523 4.481 3.960 -0.003 0.000 0.303 251 G C 0.240 175.194 174.900 0.090 0.000 1.537 251 G CA -0.024 45.115 45.100 0.064 0.000 0.928 251 G HN 1.289 nan 8.290 nan 0.000 0.656 252 G N -1.442 107.420 108.800 0.103 0.000 2.611 252 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.208 252 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.208 252 G C 0.789 175.756 174.900 0.112 0.000 1.201 252 G CA 0.664 45.829 45.100 0.108 0.000 0.739 252 G HN 1.911 nan 8.290 nan 0.000 0.528 253 V N 2.455 122.475 119.914 0.175 0.000 2.788 253 V HA 0.430 4.548 4.120 -0.003 0.000 0.307 253 V C 1.434 177.637 176.094 0.182 0.000 1.069 253 V CA 0.816 63.241 62.300 0.209 0.000 1.173 253 V CB 1.460 33.511 31.823 0.381 0.000 0.925 253 V HN 0.952 nan 8.190 nan 0.000 0.492 254 S N 3.080 118.864 115.700 0.139 0.000 2.572 254 S HA 0.189 4.657 4.470 -0.003 0.000 0.279 254 S C 0.532 175.323 174.600 0.317 0.000 1.341 254 S CA -0.130 58.156 58.200 0.143 0.000 1.043 254 S CB 1.138 64.354 63.200 0.026 0.000 0.887 254 S HN 1.054 nan 8.310 nan 0.000 0.516 255 V N 1.826 121.904 119.914 0.274 0.000 3.176 255 V HA 0.701 4.819 4.120 -0.003 0.000 0.332 255 V C 1.039 177.366 176.094 0.388 0.000 1.414 255 V CA 0.410 62.936 62.300 0.376 0.000 1.133 255 V CB -0.412 31.564 31.823 0.256 0.000 1.088 255 V HN 1.110 nan 8.190 nan 0.000 0.473 256 G N 0.212 109.086 108.800 0.124 0.000 3.819 256 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.210 256 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.210 256 G C -0.043 174.746 174.900 -0.185 0.000 1.018 256 G CA -0.144 44.887 45.100 -0.115 0.000 0.882 256 G HN 0.420 nan 8.290 nan 0.000 0.377 257 E N 1.801 121.959 120.200 -0.071 0.000 2.480 257 E HA 0.540 4.888 4.350 -0.003 0.000 0.258 257 E C 0.783 177.317 176.600 -0.110 0.000 0.984 257 E CA 0.717 57.078 56.400 -0.065 0.000 0.930 257 E CB 1.004 30.695 29.700 -0.014 0.000 0.936 257 E HN 0.694 nan 8.360 nan 0.000 0.466 258 A N 4.754 127.512 122.820 -0.103 0.000 2.462 258 A HA 0.434 4.752 4.320 -0.003 0.000 0.243 258 A C -0.316 177.228 177.584 -0.067 0.000 1.076 258 A CA 0.433 52.408 52.037 -0.102 0.000 0.773 258 A CB 0.071 19.024 19.000 -0.078 0.000 1.010 258 A HN 0.767 nan 8.150 nan 0.000 0.493 259 D N -1.011 119.346 120.400 -0.072 0.000 3.138 259 D HA -0.032 4.606 4.640 -0.003 0.000 0.293 259 D C -0.092 176.163 176.300 -0.075 0.000 1.109 259 D CA 0.045 54.020 54.000 -0.042 0.000 0.720 259 D CB -0.609 40.155 40.800 -0.061 0.000 1.336 259 D HN 0.636 nan 8.370 nan 0.000 0.462 260 Y N -1.049 119.242 120.300 -0.015 0.000 2.483 260 Y HA -0.040 4.508 4.550 -0.003 0.000 0.291 260 Y C 1.990 177.883 175.900 -0.013 0.000 1.143 260 Y CA 1.728 59.812 58.100 -0.026 0.000 1.289 260 Y CB -1.116 37.327 38.460 -0.030 0.000 0.983 260 Y HN 0.530 nan 8.280 nan 0.000 0.556 261 T N -1.793 112.335 114.554 -0.711 0.000 2.851 261 T HA -0.123 4.225 4.350 -0.003 0.000 0.262 261 T C 1.765 176.368 174.700 -0.161 0.000 1.043 261 T CA 1.191 63.033 62.100 -0.430 0.000 1.140 261 T CB -0.413 68.205 68.868 -0.417 0.000 0.872 261 T HN 0.357 nan 8.240 nan 0.000 0.446 262 K N 1.302 121.612 120.400 -0.150 0.000 2.113 262 K HA -0.140 4.178 4.320 -0.003 0.000 0.208 262 K C 2.268 178.808 176.600 -0.101 0.000 1.047 262 K CA 2.009 58.226 56.287 -0.116 0.000 0.928 262 K CB -0.661 31.714 32.500 -0.209 0.000 0.716 262 K HN 0.500 nan 8.250 nan 0.000 0.446 263 T N 0.442 114.944 114.554 -0.087 0.000 2.777 263 T HA -0.084 4.264 4.350 -0.003 0.000 0.266 263 T C 1.805 176.459 174.700 -0.078 0.000 1.040 263 T CA 1.392 63.456 62.100 -0.061 0.000 1.141 263 T CB -0.181 68.677 68.868 -0.017 0.000 0.868 263 T HN 0.114 nan 8.240 nan 0.000 0.444 264 I N 0.594 121.119 120.570 -0.075 0.000 2.394 264 I HA -0.033 4.135 4.170 -0.003 0.000 0.251 264 I C 2.256 178.192 176.117 -0.303 0.000 1.136 264 I CA 0.874 62.097 61.300 -0.128 0.000 1.425 264 I CB -0.292 37.691 38.000 -0.028 0.000 1.079 264 I HN 0.176 nan 8.210 nan 0.000 0.425 265 L N -0.097 120.932 121.223 -0.324 0.000 2.056 265 L HA -0.198 4.140 4.340 -0.003 0.000 0.207 265 L C 2.457 179.154 176.870 -0.289 0.000 1.078 265 L CA 1.516 56.080 54.840 -0.459 0.000 0.749 265 L CB -0.334 41.553 42.059 -0.287 0.000 0.901 265 L HN 0.275 nan 8.230 nan 0.000 0.433 266 E N -0.189 119.925 120.200 -0.143 0.000 2.106 266 E HA -0.265 4.083 4.350 -0.003 0.000 0.192 266 E C 1.858 178.391 176.600 -0.112 0.000 0.984 266 E CA 1.366 57.717 56.400 -0.083 0.000 0.806 266 E CB 0.071 29.746 29.700 -0.041 0.000 0.750 266 E HN 0.582 nan 8.360 nan 0.000 0.458 267 E N 0.424 120.548 120.200 -0.128 0.000 2.358 267 E HA -0.120 4.228 4.350 -0.003 0.000 0.195 267 E C 1.688 178.203 176.600 -0.142 0.000 1.010 267 E CA 0.595 56.927 56.400 -0.114 0.000 0.856 267 E CB 0.097 29.742 29.700 -0.091 0.000 0.795 267 E HN 0.181 nan 8.360 nan 0.000 0.504 268 L N -0.132 120.961 121.223 -0.217 0.000 2.766 268 L HA 0.426 4.764 4.340 -0.003 0.000 0.242 268 L C 0.516 177.238 176.870 -0.247 0.000 1.136 268 L CA 0.284 54.979 54.840 -0.242 0.000 0.933 268 L CB 1.204 43.049 42.059 -0.358 0.000 1.241 268 L HN 0.309 nan 8.230 nan 0.000 0.522 269 G N -1.014 107.646 108.800 -0.234 0.000 2.427 269 G HA2 0.214 4.172 3.960 -0.003 0.000 0.306 269 G HA3 0.214 4.172 3.960 -0.003 0.000 0.306 269 G C -1.578 173.222 174.900 -0.166 0.000 1.280 269 G CA -0.576 44.401 45.100 -0.206 0.000 0.837 269 G HN -0.156 nan 8.290 nan 0.000 0.482 270 E N 0.280 120.384 120.200 -0.158 0.000 2.101 270 E HA 0.547 4.895 4.350 -0.003 0.000 0.260 270 E C -0.687 175.822 176.600 -0.151 0.000 0.897 270 E CA -0.485 55.847 56.400 -0.114 0.000 0.744 270 E CB 0.711 30.361 29.700 -0.084 0.000 1.140 270 E HN 0.277 nan 8.360 nan 0.000 0.419 271 I N 3.365 123.846 120.570 -0.148 0.000 2.439 271 I HA 0.425 4.593 4.170 -0.003 0.000 0.285 271 I C 0.191 176.131 176.117 -0.296 0.000 1.021 271 I CA -0.847 60.283 61.300 -0.284 0.000 1.091 271 I CB 1.074 38.853 38.000 -0.368 0.000 1.242 271 I HN 0.510 nan 8.210 nan 0.000 0.439 272 A N 5.879 128.468 122.820 -0.385 0.000 2.332 272 A HA 0.671 4.989 4.320 -0.003 0.000 0.258 272 A C -0.771 176.372 177.584 -0.735 0.000 1.087 272 A CA 0.026 51.858 52.037 -0.342 0.000 0.802 272 A CB 0.158 18.994 19.000 -0.274 0.000 1.042 272 A HN 0.522 nan 8.150 nan 0.000 0.489 273 F N 1.412 121.266 119.950 -0.160 0.000 2.523 273 F HA 0.244 4.769 4.527 -0.003 0.000 0.322 273 F C -0.435 175.439 175.800 0.123 0.000 1.361 273 F CA -0.564 57.390 58.000 -0.077 0.000 1.151 273 F CB 0.459 39.457 39.000 -0.004 0.000 1.391 273 F HN 0.534 nan 8.300 nan 0.000 0.566 274 W N 1.697 123.090 121.300 0.154 0.000 2.148 274 W HA 0.288 4.946 4.660 -0.003 0.000 0.347 274 W C 0.082 176.711 176.519 0.183 0.000 1.288 274 W CA -1.097 56.345 57.345 0.161 0.000 1.252 274 W CB 0.256 29.810 29.460 0.157 0.000 1.156 274 W HN 0.151 nan 8.180 nan 0.000 0.580 275 K N 2.649 123.285 120.400 0.394 0.000 2.521 275 K HA 0.320 4.638 4.320 -0.003 0.000 0.248 275 K C -0.652 176.067 176.600 0.198 0.000 0.978 275 K CA -0.865 55.579 56.287 0.262 0.000 0.947 275 K CB 1.121 33.736 32.500 0.192 0.000 1.165 275 K HN -0.063 nan 8.250 nan 0.000 0.445 276 L N 1.679 123.020 121.223 0.197 0.000 2.399 276 L HA 0.387 4.725 4.340 -0.003 0.000 0.266 276 L C 0.676 177.598 176.870 0.086 0.000 1.114 276 L CA -0.347 54.565 54.840 0.120 0.000 0.804 276 L CB 0.940 43.073 42.059 0.123 0.000 1.146 276 L HN 0.718 nan 8.230 nan 0.000 0.451 277 A N 4.765 127.616 122.820 0.051 0.000 3.126 277 A HA 0.507 4.826 4.320 -0.003 0.000 0.268 277 A C 0.034 177.649 177.584 0.052 0.000 1.605 277 A CA -0.260 51.802 52.037 0.041 0.000 1.305 277 A CB -1.121 17.889 19.000 0.016 0.000 1.160 277 A HN 0.583 nan 8.150 nan 0.000 0.609 278 I N -3.128 117.487 120.570 0.075 0.000 3.042 278 I HA 0.734 4.902 4.170 -0.003 0.000 0.310 278 I C -0.877 175.297 176.117 0.095 0.000 1.117 278 I CA -1.169 60.194 61.300 0.106 0.000 1.003 278 I CB 2.443 40.521 38.000 0.130 0.000 1.228 278 I HN 0.013 nan 8.210 nan 0.000 0.443 279 K N 3.759 124.227 120.400 0.114 0.000 2.535 279 K HA 0.543 4.861 4.320 -0.003 0.000 0.250 279 K C -2.936 173.734 176.600 0.117 0.000 0.948 279 K CA -1.603 54.738 56.287 0.090 0.000 0.796 279 K CB 3.124 35.656 32.500 0.053 0.000 1.216 279 K HN 0.427 nan 8.250 nan 0.000 0.432 280 P HA 0.297 nan 4.420 nan 0.000 0.277 280 P C 0.298 177.654 177.300 0.093 0.000 1.276 280 P CA 0.403 63.560 63.100 0.095 0.000 0.788 280 P CB 0.657 32.422 31.700 0.107 0.000 1.114 281 G N -0.550 108.310 108.800 0.100 0.000 2.500 281 G HA2 -0.014 3.945 3.960 -0.003 0.000 0.209 281 G HA3 -0.014 3.945 3.960 -0.003 0.000 0.209 281 G C -0.057 174.909 174.900 0.110 0.000 1.283 281 G CA 0.590 45.752 45.100 0.104 0.000 0.960 281 G HN 0.900 nan 8.290 nan 0.000 0.528 282 K N -2.383 118.094 120.400 0.129 0.000 2.390 282 K HA -0.026 4.292 4.320 -0.003 0.000 0.207 282 K C -2.569 174.154 176.600 0.205 0.000 2.732 282 K CA 0.737 57.111 56.287 0.145 0.000 1.329 282 K CB -0.849 31.724 32.500 0.123 0.000 2.972 282 K HN 0.724 nan 8.250 nan 0.000 0.314 283 P HA 0.285 nan 4.420 nan 0.000 0.275 283 P C -1.128 176.388 177.300 0.361 0.000 1.228 283 P CA 0.369 63.629 63.100 0.267 0.000 0.786 283 P CB 0.474 32.307 31.700 0.221 0.000 0.927 284 F N 1.613 121.666 119.950 0.171 0.000 2.639 284 F HA 0.569 5.094 4.527 -0.003 0.000 0.326 284 F C -1.748 174.039 175.800 -0.022 0.000 1.150 284 F CA -0.941 57.118 58.000 0.098 0.000 1.057 284 F CB 1.181 40.261 39.000 0.133 0.000 1.300 284 F HN 0.456 nan 8.300 nan 0.000 0.486 285 A N 5.537 127.951 122.820 -0.676 0.000 2.317 285 A HA 0.882 5.200 4.320 -0.003 0.000 0.327 285 A C -1.964 174.990 177.584 -1.049 0.000 1.178 285 A CA -0.570 50.990 52.037 -0.794 0.000 0.817 285 A CB 0.894 19.705 19.000 -0.315 0.000 1.189 285 A HN 1.088 nan 8.150 nan 0.000 0.489 286 F N 1.314 120.625 119.950 -1.066 0.000 2.688 286 F HA 0.547 5.072 4.527 -0.003 0.000 0.332 286 F C -0.134 175.375 175.800 -0.486 0.000 1.131 286 F CA 0.638 58.137 58.000 -0.834 0.000 1.113 286 F CB 0.796 39.088 39.000 -1.180 0.000 1.359 286 F HN 1.202 nan 8.300 nan 0.000 0.551 287 G N 4.423 112.684 108.800 -0.898 0.000 2.489 287 G HA2 0.326 4.284 3.960 -0.003 0.000 0.305 287 G HA3 0.326 4.284 3.960 -0.003 0.000 0.305 287 G C -2.121 172.545 174.900 -0.390 0.000 1.311 287 G CA -1.044 43.697 45.100 -0.598 0.000 0.813 287 G HN 0.537 nan 8.290 nan 0.000 0.480 288 K N 0.156 120.385 120.400 -0.286 0.000 2.144 288 K HA 0.565 4.883 4.320 -0.003 0.000 0.270 288 K C -0.070 176.347 176.600 -0.304 0.000 1.005 288 K CA -0.289 55.743 56.287 -0.425 0.000 0.932 288 K CB 1.069 33.270 32.500 -0.498 0.000 1.021 288 K HN 0.340 nan 8.250 nan 0.000 0.462 289 L N 0.613 121.658 121.223 -0.297 0.000 2.687 289 L HA 0.211 4.549 4.340 -0.003 0.000 0.252 289 L C 1.909 178.653 176.870 -0.211 0.000 1.115 289 L CA -0.493 54.224 54.840 -0.204 0.000 0.893 289 L CB 0.878 42.880 42.059 -0.094 0.000 1.670 289 L HN 0.680 nan 8.230 nan 0.000 0.531 290 S N -0.105 115.509 115.700 -0.144 0.000 2.359 290 S HA -0.126 4.342 4.470 -0.003 0.000 0.224 290 S C 0.856 175.372 174.600 -0.140 0.000 1.035 290 S CA 1.464 59.590 58.200 -0.123 0.000 1.018 290 S CB -0.244 62.909 63.200 -0.078 0.000 0.876 290 S HN 0.618 nan 8.310 nan 0.000 0.448 291 N N 0.489 119.108 118.700 -0.134 0.000 2.307 291 N HA 0.189 4.928 4.740 -0.003 0.000 0.248 291 N C -0.671 174.743 175.510 -0.160 0.000 1.322 291 N CA 0.200 53.170 53.050 -0.133 0.000 0.861 291 N CB 1.182 39.628 38.487 -0.068 0.000 1.303 291 N HN 0.417 nan 8.380 nan 0.000 0.498 292 S N -0.788 114.761 115.700 -0.251 0.000 2.703 292 S HA 0.534 5.002 4.470 -0.003 0.000 0.273 292 S C -1.964 172.387 174.600 -0.414 0.000 1.178 292 S CA -0.861 57.202 58.200 -0.229 0.000 0.838 292 S CB 1.312 64.508 63.200 -0.006 0.000 1.178 292 S HN 0.202 nan 8.310 nan 0.000 0.494 293 W N 0.539 121.849 121.300 0.017 0.000 2.516 293 W HA 0.741 5.399 4.660 -0.002 0.000 0.343 293 W C -0.658 175.877 176.519 0.027 0.000 1.094 293 W CA -0.619 56.701 57.345 -0.042 0.000 1.250 293 W CB 1.240 30.693 29.460 -0.012 0.000 1.308 293 W HN 0.611 nan 8.180 nan 0.000 0.588 294 F N 2.621 122.577 119.950 0.009 0.000 2.507 294 F HA 0.670 5.195 4.527 -0.003 0.000 0.325 294 F C -0.938 174.837 175.800 -0.043 0.000 1.116 294 F CA -1.309 56.678 58.000 -0.020 0.000 0.930 294 F CB 0.682 39.642 39.000 -0.067 0.000 1.146 294 F HN 0.239 nan 8.300 nan 0.000 0.447 295 C N 3.592 122.362 119.300 -0.883 0.000 2.455 295 C HA 0.855 5.313 4.460 -0.003 0.000 0.320 295 C C 0.329 174.592 174.990 -1.213 0.000 1.226 295 C CA -0.866 57.709 59.018 -0.740 0.000 1.569 295 C CB 0.957 28.704 27.740 0.012 0.000 2.200 295 C HN 1.095 nan 8.230 nan 0.000 0.491 296 G N 3.503 111.788 108.800 -0.859 0.000 2.728 296 G HA2 0.542 4.501 3.960 -0.003 0.000 0.296 296 G HA3 0.542 4.501 3.960 -0.003 0.000 0.296 296 G C -0.675 174.245 174.900 0.034 0.000 1.401 296 G CA -0.261 44.602 45.100 -0.395 0.000 1.007 296 G HN 0.664 nan 8.290 nan 0.000 0.527 297 L N 3.621 124.902 121.223 0.096 0.000 2.417 297 L HA 0.335 4.673 4.340 -0.003 0.000 0.268 297 L C -1.488 175.489 176.870 0.178 0.000 1.158 297 L CA -1.356 53.599 54.840 0.193 0.000 0.819 297 L CB 1.434 43.564 42.059 0.117 0.000 1.112 297 L HN 0.336 nan 8.230 nan 0.000 0.458 298 P HA 0.029 nan 4.420 nan 0.000 0.273 298 P C 0.418 177.797 177.300 0.132 0.000 1.250 298 P CA -0.201 62.998 63.100 0.165 0.000 0.793 298 P CB 0.792 32.593 31.700 0.169 0.000 1.011 299 G N 0.448 109.319 108.800 0.119 0.000 2.453 299 G HA2 -0.117 3.842 3.960 -0.003 0.000 0.215 299 G HA3 -0.117 3.842 3.960 -0.003 0.000 0.215 299 G C 0.689 175.650 174.900 0.101 0.000 1.147 299 G CA -0.001 45.159 45.100 0.099 0.000 0.802 299 G HN 0.700 nan 8.290 nan 0.000 0.535 300 N N 1.100 119.871 118.700 0.118 0.000 2.452 300 N HA 0.141 4.879 4.740 -0.003 0.000 0.266 300 N C -1.301 174.310 175.510 0.167 0.000 1.209 300 N CA -1.110 52.021 53.050 0.135 0.000 0.929 300 N CB 1.591 40.163 38.487 0.142 0.000 1.063 300 N HN -0.146 nan 8.380 nan 0.000 0.472 301 P HA -0.255 nan 4.420 nan 0.000 0.217 301 P C 1.213 178.766 177.300 0.422 0.000 1.158 301 P CA 1.002 64.232 63.100 0.217 0.000 0.887 301 P CB 0.209 32.011 31.700 0.170 0.000 0.792 302 V N -0.721 119.471 119.914 0.465 0.000 2.307 302 V HA -0.203 3.915 4.120 -0.003 0.000 0.245 302 V C 2.439 178.726 176.094 0.322 0.000 1.045 302 V CA 2.289 64.866 62.300 0.462 0.000 1.024 302 V CB -1.427 30.603 31.823 0.346 0.000 0.651 302 V HN 0.147 nan 8.190 nan 0.000 0.449 303 S N 0.230 116.070 115.700 0.234 0.000 2.365 303 S HA -0.237 4.232 4.470 -0.003 0.000 0.225 303 S C 2.207 176.903 174.600 0.160 0.000 1.039 303 S CA 1.657 59.960 58.200 0.172 0.000 1.033 303 S CB -0.536 62.754 63.200 0.151 0.000 0.887 303 S HN 0.659 nan 8.310 nan 0.000 0.447 304 A N 1.039 123.962 122.820 0.172 0.000 1.877 304 A HA -0.105 4.214 4.320 -0.003 0.000 0.216 304 A C 2.362 180.048 177.584 0.170 0.000 1.186 304 A CA 2.077 54.203 52.037 0.149 0.000 0.620 304 A CB -1.400 17.672 19.000 0.119 0.000 0.822 304 A HN 0.475 nan 8.150 nan 0.000 0.443 305 T N 0.410 115.087 114.554 0.205 0.000 2.622 305 T HA -0.135 4.213 4.350 -0.003 0.000 0.266 305 T C 1.870 176.737 174.700 0.277 0.000 1.047 305 T CA 1.369 63.594 62.100 0.209 0.000 1.159 305 T CB -0.409 68.537 68.868 0.129 0.000 0.863 305 T HN 0.296 nan 8.240 nan 0.000 0.422 306 L N 1.022 122.399 121.223 0.256 0.000 2.042 306 L HA -0.153 4.185 4.340 -0.003 0.000 0.210 306 L C 2.361 179.225 176.870 -0.011 0.000 1.076 306 L CA 1.951 56.871 54.840 0.134 0.000 0.749 306 L CB -1.436 40.646 42.059 0.038 0.000 0.893 306 L HN 0.360 nan 8.230 nan 0.000 0.432 307 T N 0.154 114.705 114.554 -0.006 0.000 2.595 307 T HA -0.276 4.072 4.350 -0.003 0.000 0.264 307 T C 1.583 176.197 174.700 -0.143 0.000 1.058 307 T CA 1.878 63.892 62.100 -0.143 0.000 1.166 307 T CB -0.755 68.037 68.868 -0.128 0.000 0.863 307 T HN 0.417 nan 8.240 nan 0.000 0.415 308 F N 0.936 120.811 119.950 -0.126 0.000 2.045 308 F HA -0.298 4.227 4.527 -0.003 0.000 0.297 308 F C 2.239 177.997 175.800 -0.069 0.000 1.114 308 F CA 1.728 59.668 58.000 -0.099 0.000 1.207 308 F CB -0.767 38.210 39.000 -0.038 0.000 0.964 308 F HN 0.226 nan 8.300 nan 0.000 0.486 309 Y N 0.667 121.006 120.300 0.065 0.000 2.151 309 Y HA -0.308 4.240 4.550 -0.003 0.000 0.284 309 Y C 2.322 178.094 175.900 -0.213 0.000 1.166 309 Y CA 2.133 60.219 58.100 -0.024 0.000 1.163 309 Y CB -0.238 38.333 38.460 0.184 0.000 0.974 309 Y HN 0.199 nan 8.280 nan 0.000 0.511 310 Q N -0.872 118.932 119.800 0.007 0.000 2.408 310 Q HA 0.115 4.453 4.340 -0.003 0.000 0.205 310 Q C 1.772 177.618 176.000 -0.256 0.000 0.919 310 Q CA 0.613 56.329 55.803 -0.144 0.000 0.932 310 Q CB 0.868 29.382 28.738 -0.373 0.000 1.058 310 Q HN 0.549 nan 8.270 nan 0.000 0.517 311 L N -1.511 119.500 121.223 -0.354 0.000 2.588 311 L HA 0.083 4.422 4.340 -0.003 0.000 0.194 311 L C 1.945 178.579 176.870 -0.394 0.000 1.070 311 L CA 0.288 54.889 54.840 -0.398 0.000 0.852 311 L CB 0.148 41.833 42.059 -0.624 0.000 1.199 311 L HN -0.122 nan 8.230 nan 0.000 0.486 312 V N -0.141 119.474 119.914 -0.498 0.000 2.407 312 V HA -0.216 3.903 4.120 -0.003 0.000 0.245 312 V C 2.237 177.947 176.094 -0.640 0.000 1.041 312 V CA 1.530 63.529 62.300 -0.501 0.000 1.040 312 V CB -0.397 31.091 31.823 -0.558 0.000 0.671 312 V HN 0.457 nan 8.190 nan 0.000 0.455 313 Q N 0.634 119.864 119.800 -0.950 0.000 2.029 313 Q HA -0.226 4.112 4.340 -0.003 0.000 0.209 313 Q C -0.123 175.642 176.000 -0.391 0.000 0.999 313 Q CA 2.914 58.300 55.803 -0.695 0.000 0.857 313 Q CB -1.115 27.197 28.738 -0.709 0.000 0.926 313 Q HN 0.508 nan 8.270 nan 0.000 0.415 314 P HA -0.181 nan 4.420 nan 0.000 0.218 314 P C 1.460 178.643 177.300 -0.194 0.000 1.148 314 P CA 1.074 64.042 63.100 -0.221 0.000 0.822 314 P CB -0.179 31.406 31.700 -0.191 0.000 0.784 315 L N -0.884 120.208 121.223 -0.218 0.000 2.046 315 L HA -0.127 4.211 4.340 -0.003 0.000 0.208 315 L C 2.554 179.334 176.870 -0.150 0.000 1.077 315 L CA 1.381 56.108 54.840 -0.188 0.000 0.747 315 L CB -0.705 41.244 42.059 -0.182 0.000 0.896 315 L HN -0.166 nan 8.230 nan 0.000 0.432 316 L N -0.668 120.466 121.223 -0.149 0.000 2.131 316 L HA -0.181 4.157 4.340 -0.003 0.000 0.210 316 L C 2.766 179.587 176.870 -0.083 0.000 1.092 316 L CA 0.957 55.742 54.840 -0.093 0.000 0.759 316 L CB -0.922 41.087 42.059 -0.083 0.000 0.903 316 L HN 0.325 nan 8.230 nan 0.000 0.435 317 A N 0.705 123.460 122.820 -0.108 0.000 1.858 317 A HA -0.279 4.039 4.320 -0.003 0.000 0.216 317 A C 2.355 179.897 177.584 -0.071 0.000 1.190 317 A CA 2.184 54.167 52.037 -0.089 0.000 0.617 317 A CB -0.497 18.442 19.000 -0.103 0.000 0.827 317 A HN 0.294 nan 8.150 nan 0.000 0.443 318 K N -0.336 120.016 120.400 -0.080 0.000 2.152 318 K HA -0.013 4.305 4.320 -0.003 0.000 0.206 318 K C 1.730 178.303 176.600 -0.045 0.000 1.048 318 K CA 1.355 57.603 56.287 -0.065 0.000 0.933 318 K CB -0.438 32.013 32.500 -0.082 0.000 0.721 318 K HN 0.423 nan 8.250 nan 0.000 0.447 319 L N 0.530 121.724 121.223 -0.048 0.000 2.291 319 L HA -0.092 4.247 4.340 -0.003 0.000 0.214 319 L C 1.968 178.841 176.870 0.005 0.000 1.120 319 L CA 1.251 56.085 54.840 -0.010 0.000 0.799 319 L CB -0.259 41.799 42.059 -0.001 0.000 0.925 319 L HN 0.401 nan 8.230 nan 0.000 0.446 320 S N -1.392 114.300 115.700 -0.014 0.000 2.489 320 S HA 0.073 4.541 4.470 -0.003 0.000 0.228 320 S C 1.513 176.106 174.600 -0.012 0.000 0.995 320 S CA 0.549 58.741 58.200 -0.012 0.000 0.934 320 S CB 0.367 63.550 63.200 -0.028 0.000 0.771 320 S HN 0.531 nan 8.310 nan 0.000 0.522 321 G N 1.165 109.958 108.800 -0.012 0.000 2.179 321 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.220 321 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.220 321 G C -0.133 174.755 174.900 -0.020 0.000 0.990 321 G CA -0.082 45.012 45.100 -0.010 0.000 0.646 321 G HN 0.618 nan 8.290 nan 0.000 0.517 322 N N 1.397 120.079 118.700 -0.031 0.000 2.452 322 N HA 0.318 5.056 4.740 -0.003 0.000 0.266 322 N C 1.607 177.098 175.510 -0.030 0.000 1.175 322 N CA 0.857 53.885 53.050 -0.038 0.000 0.945 322 N CB 0.888 39.344 38.487 -0.051 0.000 1.063 322 N HN 0.247 nan 8.380 nan 0.000 0.472 323 T N 0.716 115.256 114.554 -0.023 0.000 3.160 323 T HA 0.173 4.522 4.350 -0.003 0.000 0.257 323 T C 1.046 175.735 174.700 -0.018 0.000 1.147 323 T CA 0.155 62.245 62.100 -0.016 0.000 1.064 323 T CB 0.011 68.876 68.868 -0.005 0.000 0.949 323 T HN 0.547 nan 8.240 nan 0.000 0.526 324 A N 1.625 124.430 122.820 -0.025 0.000 2.296 324 A HA 0.579 4.897 4.320 -0.003 0.000 0.276 324 A C 0.778 178.345 177.584 -0.028 0.000 1.356 324 A CA -0.586 51.437 52.037 -0.023 0.000 0.825 324 A CB 0.231 19.215 19.000 -0.028 0.000 1.308 324 A HN 0.274 nan 8.150 nan 0.000 0.515 325 S N -0.243 115.442 115.700 -0.025 0.000 2.558 325 S HA 0.362 4.830 4.470 -0.003 0.000 0.238 325 S C 0.508 175.089 174.600 -0.032 0.000 1.183 325 S CA 0.053 58.236 58.200 -0.029 0.000 1.185 325 S CB 0.122 63.311 63.200 -0.018 0.000 1.003 325 S HN 1.240 nan 8.310 nan 0.000 0.478 326 G N 2.153 110.925 108.800 -0.047 0.000 2.388 326 G HA2 0.245 4.204 3.960 -0.003 0.000 0.289 326 G HA3 0.245 4.204 3.960 -0.003 0.000 0.289 326 G C -0.526 174.336 174.900 -0.064 0.000 0.791 326 G CA 0.593 45.660 45.100 -0.057 0.000 1.619 326 G HN 0.459 nan 8.290 nan 0.000 0.375 327 L N 3.623 124.834 121.223 -0.021 0.000 3.992 327 L HA 0.270 4.608 4.340 -0.003 0.000 0.266 327 L C -2.215 174.705 176.870 0.084 0.000 1.014 327 L CA -1.483 53.367 54.840 0.015 0.000 1.217 327 L CB 1.329 43.391 42.059 0.005 0.000 1.997 327 L HN 0.280 nan 8.230 nan 0.000 0.604 328 P HA 0.236 nan 4.420 nan 0.000 0.271 328 P C -0.507 176.868 177.300 0.125 0.000 1.197 328 P CA 0.024 63.208 63.100 0.139 0.000 0.777 328 P CB 0.400 32.221 31.700 0.202 0.000 0.827 329 A N 2.617 125.493 122.820 0.093 0.000 2.322 329 A HA 0.389 4.707 4.320 -0.003 0.000 0.269 329 A C 0.704 178.342 177.584 0.090 0.000 1.094 329 A CA -0.494 51.589 52.037 0.076 0.000 0.807 329 A CB 0.307 19.336 19.000 0.048 0.000 1.047 329 A HN 0.431 nan 8.150 nan 0.000 0.487 330 R N 0.239 120.786 120.500 0.078 0.000 2.549 330 R HA 0.555 4.893 4.340 -0.003 0.000 0.259 330 R C -0.757 175.565 176.300 0.037 0.000 1.095 330 R CA -0.419 55.723 56.100 0.071 0.000 1.148 330 R CB 0.407 30.745 30.300 0.064 0.000 1.181 330 R HN 0.899 nan 8.270 nan 0.000 0.571 331 Q N -0.725 119.092 119.800 0.029 0.000 2.403 331 Q HA 0.341 4.679 4.340 -0.003 0.000 0.267 331 Q C -1.230 174.779 176.000 0.016 0.000 0.991 331 Q CA -0.996 54.813 55.803 0.010 0.000 0.906 331 Q CB 1.770 30.518 28.738 0.016 0.000 1.422 331 Q HN 0.574 nan 8.270 nan 0.000 0.400 332 R N 1.783 122.270 120.500 -0.020 0.000 2.389 332 R HA 0.637 4.975 4.340 -0.003 0.000 0.295 332 R C -1.171 175.209 176.300 0.133 0.000 1.075 332 R CA -0.100 55.996 56.100 -0.006 0.000 1.005 332 R CB 0.859 31.043 30.300 -0.194 0.000 0.987 332 R HN 0.547 nan 8.270 nan 0.000 0.452 333 V N 3.145 123.264 119.914 0.342 0.000 3.178 333 V HA 0.430 4.548 4.120 -0.003 0.000 0.302 333 V C -0.479 175.834 176.094 0.365 0.000 1.262 333 V CA -1.209 61.353 62.300 0.437 0.000 1.030 333 V CB 2.050 33.978 31.823 0.175 0.000 1.074 333 V HN 0.808 nan 8.190 nan 0.000 0.438 334 R N 0.652 121.160 120.500 0.013 0.000 2.340 334 R HA 0.531 4.869 4.340 -0.003 0.000 0.300 334 R C -0.264 175.942 176.300 -0.158 0.000 1.069 334 R CA -0.324 55.580 56.100 -0.327 0.000 0.984 334 R CB 1.072 30.979 30.300 -0.655 0.000 1.003 334 R HN 0.803 nan 8.270 nan 0.000 0.459 335 T N 1.975 116.444 114.554 -0.142 0.000 2.870 335 T HA 0.127 4.475 4.350 -0.003 0.000 0.300 335 T C 0.926 175.557 174.700 -0.114 0.000 0.989 335 T CA -0.167 61.874 62.100 -0.098 0.000 1.139 335 T CB 1.386 70.207 68.868 -0.078 0.000 0.920 335 T HN 0.718 nan 8.240 nan 0.000 0.537 336 A N 2.817 125.583 122.820 -0.089 0.000 2.387 336 A HA 0.517 4.836 4.320 -0.003 0.000 0.234 336 A C 0.920 178.463 177.584 -0.069 0.000 1.253 336 A CA -0.268 51.719 52.037 -0.083 0.000 0.894 336 A CB 0.381 19.338 19.000 -0.071 0.000 0.963 336 A HN 0.587 nan 8.150 nan 0.000 0.508 337 S N -0.591 115.069 115.700 -0.067 0.000 2.541 337 S HA 0.449 4.917 4.470 -0.003 0.000 0.280 337 S C -0.315 174.249 174.600 -0.059 0.000 1.112 337 S CA -0.690 57.475 58.200 -0.058 0.000 0.925 337 S CB 1.497 64.665 63.200 -0.054 0.000 1.067 337 S HN 0.543 nan 8.310 nan 0.000 0.479 338 R N 2.689 123.156 120.500 -0.055 0.000 2.489 338 R HA 0.354 4.692 4.340 -0.003 0.000 0.287 338 R C -1.100 175.167 176.300 -0.055 0.000 1.053 338 R CA 0.217 56.284 56.100 -0.054 0.000 1.036 338 R CB 0.110 30.380 30.300 -0.050 0.000 0.966 338 R HN 0.528 nan 8.270 nan 0.000 0.432 339 L N 4.464 125.655 121.223 -0.053 0.000 2.365 339 L HA 0.432 4.770 4.340 -0.003 0.000 0.273 339 L C -0.335 176.503 176.870 -0.054 0.000 1.000 339 L CA -0.900 53.907 54.840 -0.055 0.000 0.819 339 L CB 2.113 44.142 42.059 -0.050 0.000 1.284 339 L HN 0.488 nan 8.230 nan 0.000 0.418 340 K N 2.899 123.261 120.400 -0.062 0.000 2.244 340 K HA 0.288 4.607 4.320 -0.003 0.000 0.263 340 K C -0.628 175.941 176.600 -0.052 0.000 1.103 340 K CA -0.432 55.819 56.287 -0.061 0.000 0.966 340 K CB 0.851 33.302 32.500 -0.081 0.000 1.429 340 K HN 0.270 nan 8.250 nan 0.000 0.434 341 K N 1.015 121.389 120.400 -0.044 0.000 2.259 341 K HA 0.357 4.676 4.320 -0.003 0.000 0.252 341 K C -0.999 175.581 176.600 -0.033 0.000 0.936 341 K CA -0.335 55.929 56.287 -0.040 0.000 0.810 341 K CB 1.849 34.322 32.500 -0.044 0.000 1.143 341 K HN 0.129 nan 8.250 nan 0.000 0.427 342 T N 5.936 120.473 114.554 -0.028 0.000 2.786 342 T HA 0.428 4.777 4.350 -0.003 0.000 0.283 342 T C -2.597 172.091 174.700 -0.020 0.000 0.992 342 T CA -1.596 60.492 62.100 -0.021 0.000 0.954 342 T CB 1.483 70.342 68.868 -0.015 0.000 0.934 342 T HN 0.515 nan 8.240 nan 0.000 0.440 343 P HA 0.186 nan 4.420 nan 0.000 0.269 343 P C 1.077 178.370 177.300 -0.013 0.000 1.205 343 P CA 1.001 64.090 63.100 -0.018 0.000 0.780 343 P CB 0.328 32.019 31.700 -0.015 0.000 0.858 344 G N 0.396 109.188 108.800 -0.014 0.000 2.258 344 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.233 344 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.233 344 G C 0.157 175.054 174.900 -0.005 0.000 1.006 344 G CA -0.284 44.812 45.100 -0.007 0.000 0.620 344 G HN 0.617 nan 8.290 nan 0.000 0.511 345 R N -0.669 119.825 120.500 -0.010 0.000 2.673 345 R HA 0.557 4.895 4.340 -0.003 0.000 0.281 345 R C -1.254 175.028 176.300 -0.031 0.000 0.991 345 R CA -0.989 55.107 56.100 -0.006 0.000 0.896 345 R CB 1.993 32.300 30.300 0.013 0.000 1.201 345 R HN 0.234 nan 8.270 nan 0.000 0.457 346 L N 2.848 124.049 121.223 -0.037 0.000 2.295 346 L HA 0.209 4.547 4.340 -0.003 0.000 0.288 346 L C -0.562 176.226 176.870 -0.136 0.000 1.079 346 L CA 0.153 54.925 54.840 -0.113 0.000 0.830 346 L CB 0.339 42.330 42.059 -0.114 0.000 1.200 346 L HN 0.387 nan 8.230 nan 0.000 0.438 347 D N 4.454 124.754 120.400 -0.167 0.000 2.313 347 D HA 0.118 4.756 4.640 -0.003 0.000 0.239 347 D C -0.636 175.534 176.300 -0.218 0.000 1.142 347 D CA -0.022 53.913 54.000 -0.108 0.000 0.847 347 D CB 0.429 41.192 40.800 -0.061 0.000 1.082 347 D HN 0.374 nan 8.370 nan 0.000 0.480 348 F N 3.326 123.217 119.950 -0.098 0.000 2.606 348 F HA 0.155 4.680 4.527 -0.003 0.000 0.347 348 F C 1.470 177.255 175.800 -0.026 0.000 1.207 348 F CA -0.466 57.441 58.000 -0.155 0.000 1.306 348 F CB 0.081 38.816 39.000 -0.441 0.000 1.657 348 F HN 0.130 nan 8.300 nan 0.000 0.606 349 Q N 0.847 120.712 119.800 0.108 0.000 2.584 349 Q HA 0.292 4.630 4.340 -0.003 0.000 0.235 349 Q C 0.125 176.225 176.000 0.166 0.000 1.079 349 Q CA -0.039 55.817 55.803 0.088 0.000 0.977 349 Q CB 0.843 29.589 28.738 0.014 0.000 1.293 349 Q HN 0.436 nan 8.270 nan 0.000 0.553 350 R N -0.925 119.603 120.500 0.047 0.000 2.637 350 R HA 0.660 4.999 4.340 -0.003 0.000 0.291 350 R C -0.474 175.763 176.300 -0.106 0.000 0.963 350 R CA -0.160 55.923 56.100 -0.028 0.000 0.901 350 R CB 1.974 32.191 30.300 -0.139 0.000 1.160 350 R HN 0.725 nan 8.270 nan 0.000 0.457 351 G N 0.036 108.709 108.800 -0.211 0.000 2.766 351 G HA2 0.583 4.542 3.960 -0.003 0.000 0.288 351 G HA3 0.583 4.542 3.960 -0.003 0.000 0.288 351 G C -1.637 173.120 174.900 -0.238 0.000 1.408 351 G CA -0.511 44.477 45.100 -0.186 0.000 0.852 351 G HN 0.351 nan 8.290 nan 0.000 0.487 352 V N 0.555 120.369 119.914 -0.166 0.000 2.488 352 V HA 0.339 4.457 4.120 -0.003 0.000 0.293 352 V C -0.766 175.261 176.094 -0.112 0.000 1.027 352 V CA -0.473 61.740 62.300 -0.145 0.000 0.862 352 V CB 1.353 33.119 31.823 -0.095 0.000 1.008 352 V HN 0.582 nan 8.190 nan 0.000 0.428 353 L N 5.939 127.090 121.223 -0.121 0.000 2.295 353 L HA 0.484 4.822 4.340 -0.003 0.000 0.288 353 L C 0.254 177.092 176.870 -0.052 0.000 1.079 353 L CA 0.718 55.510 54.840 -0.080 0.000 0.830 353 L CB 0.734 42.745 42.059 -0.081 0.000 1.200 353 L HN 0.820 nan 8.230 nan 0.000 0.438 354 Q N 5.011 124.788 119.800 -0.040 0.000 2.397 354 Q HA 0.447 4.786 4.340 -0.003 0.000 0.275 354 Q C -0.898 175.090 176.000 -0.019 0.000 1.090 354 Q CA -1.034 54.752 55.803 -0.027 0.000 0.809 354 Q CB 1.616 30.337 28.738 -0.029 0.000 1.362 354 Q HN 0.446 nan 8.270 nan 0.000 0.431 355 R N 2.495 122.987 120.500 -0.012 0.000 2.421 355 R HA 0.063 4.401 4.340 -0.003 0.000 0.305 355 R C 0.301 176.594 176.300 -0.012 0.000 1.039 355 R CA 0.069 56.164 56.100 -0.007 0.000 1.003 355 R CB 0.261 30.559 30.300 -0.003 0.000 0.959 355 R HN 0.710 nan 8.270 nan 0.000 0.427 356 N N 2.524 121.216 118.700 -0.013 0.000 2.263 356 N HA -0.025 4.713 4.740 -0.003 0.000 0.239 356 N C 0.769 176.271 175.510 -0.013 0.000 1.317 356 N CA 0.297 53.336 53.050 -0.018 0.000 0.909 356 N CB 0.253 38.725 38.487 -0.024 0.000 1.171 356 N HN 0.455 nan 8.380 nan 0.000 0.492 357 A N -0.653 122.158 122.820 -0.015 0.000 2.024 357 A HA -0.180 4.138 4.320 -0.003 0.000 0.220 357 A C 1.313 178.893 177.584 -0.007 0.000 1.164 357 A CA 1.789 53.820 52.037 -0.011 0.000 0.643 357 A CB -0.970 18.023 19.000 -0.013 0.000 0.806 357 A HN 0.795 nan 8.150 nan 0.000 0.451 358 D N -1.609 118.787 120.400 -0.007 0.000 2.363 358 D HA 0.283 4.922 4.640 -0.003 0.000 0.220 358 D C 1.347 177.649 176.300 0.003 0.000 0.994 358 D CA 1.233 55.232 54.000 -0.002 0.000 0.890 358 D CB -0.033 40.767 40.800 -0.001 0.000 0.906 358 D HN 0.574 nan 8.370 nan 0.000 0.530 359 G N 0.556 109.358 108.800 0.002 0.000 2.148 359 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.254 359 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.254 359 G C -0.002 174.905 174.900 0.011 0.000 0.981 359 G CA 0.313 45.417 45.100 0.005 0.000 0.670 359 G HN 0.447 nan 8.290 nan 0.000 0.528 360 E N -0.596 119.612 120.200 0.013 0.000 2.243 360 E HA 0.763 5.111 4.350 -0.003 0.000 0.260 360 E C -0.299 176.312 176.600 0.019 0.000 0.985 360 E CA -1.315 55.100 56.400 0.024 0.000 0.858 360 E CB 1.460 31.183 29.700 0.039 0.000 1.210 360 E HN 0.023 nan 8.360 nan 0.000 0.411 361 L N 1.578 122.821 121.223 0.033 0.000 2.399 361 L HA 0.282 4.620 4.340 -0.003 0.000 0.266 361 L C -0.189 176.692 176.870 0.018 0.000 1.114 361 L CA 0.116 54.970 54.840 0.024 0.000 0.804 361 L CB 0.382 42.462 42.059 0.034 0.000 1.146 361 L HN 0.758 nan 8.230 nan 0.000 0.451 362 E N 1.286 121.483 120.200 -0.006 0.000 2.406 362 E HA 0.426 4.774 4.350 -0.003 0.000 0.297 362 E C -1.328 175.249 176.600 -0.037 0.000 0.917 362 E CA -0.885 55.498 56.400 -0.027 0.000 0.795 362 E CB 1.005 30.673 29.700 -0.053 0.000 1.285 362 E HN 0.227 nan 8.360 nan 0.000 0.400 363 V N 1.188 121.079 119.914 -0.038 0.000 2.637 363 V HA 0.407 4.525 4.120 -0.003 0.000 0.296 363 V C 0.117 176.175 176.094 -0.060 0.000 1.046 363 V CA -0.052 62.215 62.300 -0.055 0.000 1.066 363 V CB 0.965 32.757 31.823 -0.053 0.000 0.968 363 V HN 0.739 nan 8.190 nan 0.000 0.483 364 T N 2.997 117.512 114.554 -0.065 0.000 2.918 364 T HA 0.422 4.770 4.350 -0.003 0.000 0.286 364 T C 0.171 174.832 174.700 -0.066 0.000 1.026 364 T CA -0.106 61.958 62.100 -0.061 0.000 1.031 364 T CB 1.637 70.473 68.868 -0.053 0.000 1.046 364 T HN 1.070 nan 8.240 nan 0.000 0.479 365 T N 0.724 115.243 114.554 -0.058 0.000 2.899 365 T HA 0.212 4.560 4.350 -0.003 0.000 0.295 365 T C 1.667 176.335 174.700 -0.053 0.000 1.033 365 T CA -0.019 62.046 62.100 -0.058 0.000 1.084 365 T CB 0.467 69.305 68.868 -0.050 0.000 0.979 365 T HN 0.760 nan 8.240 nan 0.000 0.532 366 T N 0.800 115.321 114.554 -0.056 0.000 3.043 366 T HA 0.471 4.820 4.350 -0.003 0.000 0.263 366 T C 1.208 175.896 174.700 -0.020 0.000 1.094 366 T CA 0.473 62.543 62.100 -0.050 0.000 1.127 366 T CB -0.288 68.535 68.868 -0.074 0.000 0.905 366 T HN 1.193 nan 8.240 nan 0.000 0.490 367 G N 0.215 109.010 108.800 -0.008 0.000 2.260 367 G HA2 0.055 4.014 3.960 -0.003 0.000 0.250 367 G HA3 0.055 4.014 3.960 -0.003 0.000 0.250 367 G C -1.122 173.815 174.900 0.062 0.000 1.340 367 G CA -0.743 44.375 45.100 0.030 0.000 1.056 367 G HN 0.617 nan 8.290 nan 0.000 0.471 368 H N 1.350 120.428 119.070 0.012 0.000 3.004 368 H HA 0.334 4.888 4.556 -0.003 0.000 0.316 368 H C 1.023 176.365 175.328 0.023 0.000 1.014 368 H CA 0.341 56.403 56.048 0.023 0.000 1.454 368 H CB 0.738 30.540 29.762 0.066 0.000 1.472 368 H HN 0.306 nan 8.280 nan 0.000 0.571 369 Q N 3.999 123.917 119.800 0.196 0.000 2.212 369 Q HA 0.146 4.484 4.340 -0.003 0.000 0.213 369 Q C 0.479 176.588 176.000 0.181 0.000 0.874 369 Q CA 0.008 55.885 55.803 0.123 0.000 0.965 369 Q CB 0.779 29.533 28.738 0.026 0.000 1.074 369 Q HN 0.727 nan 8.270 nan 0.000 0.473 370 G N 1.092 110.098 108.800 0.344 0.000 2.403 370 G HA2 0.155 4.113 3.960 -0.003 0.000 0.259 370 G HA3 0.155 4.113 3.960 -0.003 0.000 0.259 370 G C 0.794 175.825 174.900 0.220 0.000 1.244 370 G CA -0.239 44.960 45.100 0.164 0.000 0.849 370 G HN 0.241 nan 8.290 nan 0.000 0.532 371 S N 1.309 117.110 115.700 0.167 0.000 2.660 371 S HA -0.117 4.351 4.470 -0.003 0.000 0.223 371 S C 1.700 176.450 174.600 0.250 0.000 0.963 371 S CA 0.759 59.074 58.200 0.193 0.000 0.932 371 S CB -0.355 62.938 63.200 0.155 0.000 0.775 371 S HN 0.850 nan 8.310 nan 0.000 0.531 372 H N 2.245 121.351 119.070 0.061 0.000 2.563 372 H HA 0.292 4.847 4.556 -0.003 0.000 0.272 372 H C 0.418 175.781 175.328 0.058 0.000 1.005 372 H CA 0.106 56.180 56.048 0.044 0.000 1.171 372 H CB -0.911 28.847 29.762 -0.005 0.000 1.351 372 H HN 0.771 nan 8.280 nan 0.000 0.602 373 I N -5.390 115.234 120.570 0.091 0.000 2.680 373 I HA 0.228 4.396 4.170 -0.003 0.000 0.291 373 I C -0.511 175.718 176.117 0.187 0.000 1.244 373 I CA -1.116 60.194 61.300 0.016 0.000 1.042 373 I CB 1.108 39.015 38.000 -0.156 0.000 1.277 373 I HN -0.231 nan 8.210 nan 0.000 0.423 374 F N 3.273 123.270 119.950 0.078 0.000 2.558 374 F HA -0.068 4.457 4.527 -0.003 0.000 0.298 374 F C 2.583 178.483 175.800 0.168 0.000 1.119 374 F CA 1.711 59.827 58.000 0.193 0.000 1.451 374 F CB 0.328 39.424 39.000 0.159 0.000 1.091 374 F HN 0.761 nan 8.300 nan 0.000 0.563 375 S N -0.611 115.184 115.700 0.159 0.000 2.420 375 S HA -0.251 4.217 4.470 -0.003 0.000 0.237 375 S C 2.129 176.720 174.600 -0.015 0.000 1.023 375 S CA 1.399 59.650 58.200 0.086 0.000 0.991 375 S CB -1.204 62.027 63.200 0.052 0.000 0.792 375 S HN 0.440 nan 8.310 nan 0.000 0.488 376 S N 1.359 116.979 115.700 -0.132 0.000 2.419 376 S HA -0.052 4.417 4.470 -0.003 0.000 0.235 376 S C 1.406 175.788 174.600 -0.364 0.000 1.019 376 S CA 1.108 59.154 58.200 -0.256 0.000 0.982 376 S CB -1.058 61.933 63.200 -0.347 0.000 0.789 376 S HN 0.605 nan 8.310 nan 0.000 0.490 377 F N 1.730 121.451 119.950 -0.382 0.000 2.234 377 F HA -0.015 4.510 4.527 -0.003 0.000 0.299 377 F C 3.011 178.606 175.800 -0.341 0.000 1.087 377 F CA 1.042 58.645 58.000 -0.661 0.000 1.340 377 F CB -0.519 37.822 39.000 -1.099 0.000 1.031 377 F HN 0.238 nan 8.300 nan 0.000 0.500 378 S N 0.527 116.239 115.700 0.020 0.000 2.329 378 S HA -0.106 4.362 4.470 -0.003 0.000 0.215 378 S C 1.890 176.528 174.600 0.064 0.000 1.031 378 S CA 1.243 59.483 58.200 0.067 0.000 0.985 378 S CB -0.421 62.830 63.200 0.084 0.000 0.917 378 S HN 0.232 nan 8.310 nan 0.000 0.441 379 L N 1.306 122.545 121.223 0.028 0.000 2.376 379 L HA 0.268 4.606 4.340 -0.003 0.000 0.219 379 L C 1.449 178.315 176.870 -0.008 0.000 1.133 379 L CA 0.472 55.319 54.840 0.012 0.000 0.816 379 L CB -1.115 40.942 42.059 -0.004 0.000 0.933 379 L HN 0.219 nan 8.230 nan 0.000 0.449 380 G N 0.584 109.384 108.800 -0.000 0.000 2.599 380 G HA2 0.301 4.259 3.960 -0.003 0.000 0.264 380 G HA3 0.301 4.259 3.960 -0.003 0.000 0.264 380 G C 0.288 175.154 174.900 -0.055 0.000 1.200 380 G CA -0.082 44.971 45.100 -0.077 0.000 0.896 380 G HN 0.416 nan 8.290 nan 0.000 0.536 381 N N -2.241 116.201 118.700 -0.430 0.000 2.232 381 N HA 0.163 4.902 4.740 -0.003 0.000 0.240 381 N C -0.079 174.698 175.510 -1.220 0.000 1.307 381 N CA 0.075 52.835 53.050 -0.483 0.000 0.859 381 N CB -0.323 38.068 38.487 -0.160 0.000 1.260 381 N HN 0.838 nan 8.380 nan 0.000 0.501 382 C N -2.622 115.502 119.300 -1.960 0.000 3.275 382 C HA 0.705 5.163 4.460 -0.003 0.000 0.340 382 C C -1.297 173.004 174.990 -1.149 0.000 1.366 382 C CA -1.699 56.436 59.018 -1.473 0.000 1.227 382 C CB -0.030 27.379 27.740 -0.551 0.000 1.512 382 C HN 0.074 nan 8.230 nan 0.000 0.461 383 F N 1.148 120.927 119.950 -0.284 0.000 2.377 383 F HA 0.684 5.210 4.527 -0.003 0.000 0.328 383 F C 0.725 176.487 175.800 -0.064 0.000 1.094 383 F CA -0.875 57.105 58.000 -0.034 0.000 1.093 383 F CB 1.173 40.307 39.000 0.224 0.000 1.214 383 F HN 0.423 nan 8.300 nan 0.000 0.518 384 I N 3.759 124.422 120.570 0.155 0.000 2.361 384 I HA 0.193 4.361 4.170 -0.003 0.000 0.282 384 I C -0.815 175.289 176.117 -0.021 0.000 1.075 384 I CA -0.628 60.696 61.300 0.041 0.000 1.205 384 I CB 0.589 38.586 38.000 -0.004 0.000 1.406 384 I HN 0.176 nan 8.210 nan 0.000 0.481 385 V N 7.356 127.224 119.914 -0.076 0.000 2.479 385 V HA 0.141 4.259 4.120 -0.003 0.000 0.281 385 V C 0.307 176.268 176.094 -0.222 0.000 1.031 385 V CA 0.076 62.189 62.300 -0.313 0.000 1.038 385 V CB 0.947 32.570 31.823 -0.333 0.000 0.981 385 V HN 0.508 nan 8.190 nan 0.000 0.478 386 L N 4.832 125.902 121.223 -0.255 0.000 2.316 386 L HA 0.444 4.782 4.340 -0.003 0.000 0.280 386 L C 0.215 176.989 176.870 -0.160 0.000 1.006 386 L CA -0.701 54.048 54.840 -0.151 0.000 0.836 386 L CB 1.706 43.699 42.059 -0.111 0.000 1.221 386 L HN 0.622 nan 8.230 nan 0.000 0.418 387 E N 1.962 122.091 120.200 -0.119 0.000 2.508 387 E HA -0.095 4.253 4.350 -0.003 0.000 0.266 387 E C 1.003 177.550 176.600 -0.089 0.000 1.010 387 E CA 0.264 56.602 56.400 -0.104 0.000 0.955 387 E CB 0.563 30.223 29.700 -0.067 0.000 0.946 387 E HN 0.363 nan 8.360 nan 0.000 0.454 388 R N 2.038 122.489 120.500 -0.082 0.000 2.103 388 R HA -0.235 4.103 4.340 -0.003 0.000 0.242 388 R C 0.514 176.787 176.300 -0.045 0.000 1.142 388 R CA 1.972 58.035 56.100 -0.063 0.000 0.960 388 R CB 0.105 30.375 30.300 -0.049 0.000 0.858 388 R HN 0.541 nan 8.270 nan 0.000 0.439 389 D N -0.411 119.965 120.400 -0.040 0.000 2.305 389 D HA -0.009 4.629 4.640 -0.003 0.000 0.206 389 D C 0.415 176.699 176.300 -0.028 0.000 0.974 389 D CA 0.207 54.190 54.000 -0.029 0.000 0.871 389 D CB -0.076 40.709 40.800 -0.025 0.000 0.947 389 D HN 0.014 nan 8.370 nan 0.000 0.516 390 R N 0.408 120.888 120.500 -0.033 0.000 2.587 390 R HA 0.226 4.564 4.340 -0.003 0.000 0.268 390 R C 0.858 177.141 176.300 -0.029 0.000 0.978 390 R CA 0.536 56.618 56.100 -0.029 0.000 1.097 390 R CB 0.332 30.610 30.300 -0.036 0.000 0.917 390 R HN 0.083 nan 8.270 nan 0.000 0.414 391 G N 1.990 110.775 108.800 -0.024 0.000 2.736 391 G HA2 0.135 4.093 3.960 -0.003 0.000 0.229 391 G HA3 0.135 4.093 3.960 -0.003 0.000 0.229 391 G C -0.711 174.172 174.900 -0.028 0.000 1.380 391 G CA -0.781 44.305 45.100 -0.025 0.000 1.040 391 G HN 0.656 nan 8.290 nan 0.000 0.568 392 N N -1.319 117.364 118.700 -0.028 0.000 2.329 392 N HA 0.276 5.014 4.740 -0.003 0.000 0.237 392 N C -0.326 175.165 175.510 -0.032 0.000 1.258 392 N CA 0.193 53.224 53.050 -0.033 0.000 0.866 392 N CB 0.988 39.455 38.487 -0.033 0.000 1.102 392 N HN 0.180 nan 8.380 nan 0.000 0.440 393 V N 0.991 120.883 119.914 -0.036 0.000 2.604 393 V HA 0.330 4.448 4.120 -0.003 0.000 0.305 393 V C -0.084 175.984 176.094 -0.043 0.000 1.043 393 V CA -0.836 61.442 62.300 -0.036 0.000 0.888 393 V CB 1.888 33.690 31.823 -0.035 0.000 0.995 393 V HN 0.530 nan 8.190 nan 0.000 0.429 394 E N 1.749 121.921 120.200 -0.046 0.000 2.250 394 E HA 0.469 4.817 4.350 -0.003 0.000 0.269 394 E C -0.450 176.108 176.600 -0.071 0.000 1.018 394 E CA -0.711 55.657 56.400 -0.054 0.000 0.873 394 E CB 2.204 31.874 29.700 -0.050 0.000 1.134 394 E HN 0.390 nan 8.360 nan 0.000 0.403 395 V N 1.258 121.128 119.914 -0.073 0.000 2.843 395 V HA 0.068 4.186 4.120 -0.003 0.000 0.305 395 V C 1.640 177.663 176.094 -0.118 0.000 1.120 395 V CA 1.940 64.186 62.300 -0.089 0.000 1.254 395 V CB 0.053 31.830 31.823 -0.077 0.000 0.901 395 V HN 1.047 nan 8.190 nan 0.000 0.503 396 G N 2.760 111.463 108.800 -0.162 0.000 2.267 396 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.257 396 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.257 396 G C 0.234 174.942 174.900 -0.319 0.000 0.998 396 G CA 0.427 45.386 45.100 -0.235 0.000 0.620 396 G HN 0.719 nan 8.290 nan 0.000 0.529 397 E N -0.573 119.496 120.200 -0.218 0.000 2.408 397 E HA 0.321 4.669 4.350 -0.003 0.000 0.259 397 E C 0.136 176.603 176.600 -0.222 0.000 1.110 397 E CA -0.626 55.661 56.400 -0.188 0.000 0.929 397 E CB 0.356 30.015 29.700 -0.069 0.000 0.971 397 E HN 0.416 nan 8.360 nan 0.000 0.438 398 W N 1.229 122.512 121.300 -0.029 0.000 2.215 398 W HA 0.425 5.083 4.660 -0.003 0.000 0.342 398 W C -0.314 176.184 176.519 -0.035 0.000 1.237 398 W CA -0.259 57.068 57.345 -0.030 0.000 1.283 398 W CB 0.947 30.391 29.460 -0.026 0.000 1.131 398 W HN 0.134 nan 8.180 nan 0.000 0.606 399 V N 1.769 121.864 119.914 0.301 0.000 3.036 399 V HA 0.107 4.225 4.120 -0.003 0.000 0.280 399 V C -0.934 175.217 176.094 0.096 0.000 1.497 399 V CA -0.995 61.381 62.300 0.127 0.000 0.982 399 V CB 1.955 33.814 31.823 0.060 0.000 1.171 399 V HN 0.420 nan 8.190 nan 0.000 0.444 400 E N 2.520 122.740 120.200 0.033 0.000 2.343 400 E HA 0.591 4.940 4.350 -0.003 0.000 0.269 400 E C -0.969 175.646 176.600 0.025 0.000 1.047 400 E CA -0.097 56.315 56.400 0.019 0.000 0.874 400 E CB 2.022 31.715 29.700 -0.013 0.000 1.033 400 E HN 0.430 nan 8.360 nan 0.000 0.409 401 V N 2.179 122.117 119.914 0.040 0.000 2.760 401 V HA 0.205 4.324 4.120 -0.003 0.000 0.309 401 V C -0.481 175.657 176.094 0.072 0.000 1.077 401 V CA -0.636 61.690 62.300 0.044 0.000 0.910 401 V CB 2.144 33.980 31.823 0.021 0.000 1.008 401 V HN 0.600 nan 8.190 nan 0.000 0.424 402 E N 6.025 126.296 120.200 0.119 0.000 2.186 402 E HA 0.440 4.788 4.350 -0.003 0.000 0.255 402 E C -2.749 173.911 176.600 0.100 0.000 0.881 402 E CA -2.107 54.401 56.400 0.181 0.000 0.752 402 E CB 2.238 32.155 29.700 0.361 0.000 1.176 402 E HN 0.385 nan 8.360 nan 0.000 0.421 403 P HA -0.038 nan 4.420 nan 0.000 0.265 403 P C -0.246 177.128 177.300 0.123 0.000 1.193 403 P CA 0.071 63.160 63.100 -0.018 0.000 0.765 403 P CB 0.195 31.915 31.700 0.033 0.000 0.823 404 F N 2.146 122.105 119.950 0.014 0.000 2.472 404 F HA 0.035 4.560 4.527 -0.003 0.000 0.285 404 F C 1.626 177.555 175.800 0.214 0.000 1.249 404 F CA 0.724 58.797 58.000 0.122 0.000 1.314 404 F CB -0.596 38.495 39.000 0.152 0.000 1.341 404 F HN 0.453 nan 8.300 nan 0.000 0.517 405 N N -1.912 117.079 118.700 0.486 0.000 3.204 405 N HA 0.486 5.225 4.740 -0.003 0.000 0.285 405 N C 0.079 175.697 175.510 0.180 0.000 1.536 405 N CA -0.181 53.031 53.050 0.270 0.000 0.832 405 N CB 0.274 38.887 38.487 0.209 0.000 1.645 405 N HN 0.454 nan 8.380 nan 0.000 0.586 406 A N 0.091 122.972 122.820 0.101 0.000 1.954 406 A HA -0.204 4.114 4.320 -0.003 0.000 0.222 406 A C 1.839 179.427 177.584 0.008 0.000 1.199 406 A CA 2.079 54.151 52.037 0.059 0.000 0.657 406 A CB -1.496 17.526 19.000 0.038 0.000 0.823 406 A HN 0.618 nan 8.150 nan 0.000 0.463 407 L N -2.820 118.346 121.223 -0.094 0.000 2.447 407 L HA -0.134 4.204 4.340 -0.003 0.000 0.225 407 L C 1.627 178.274 176.870 -0.371 0.000 1.148 407 L CA 1.108 55.775 54.840 -0.287 0.000 0.808 407 L CB -0.426 41.329 42.059 -0.508 0.000 0.928 407 L HN 0.543 nan 8.230 nan 0.000 0.448 408 F N -1.379 118.595 119.950 0.040 0.000 2.871 408 F HA 0.406 4.931 4.527 -0.003 0.000 0.344 408 F C 0.940 176.784 175.800 0.073 0.000 1.078 408 F CA -0.179 57.817 58.000 -0.007 0.000 1.149 408 F CB 1.382 40.252 39.000 -0.216 0.000 1.087 408 F HN -0.024 nan 8.300 nan 0.000 0.557 409 G N -0.064 108.883 108.800 0.245 0.000 2.368 409 G HA2 0.415 4.373 3.960 -0.003 0.000 0.303 409 G HA3 0.415 4.373 3.960 -0.003 0.000 0.303 409 G C -0.348 174.634 174.900 0.138 0.000 1.590 409 G CA -0.137 45.072 45.100 0.180 0.000 0.938 409 G HN 0.618 nan 8.290 nan 0.000 0.675 410 G N -0.204 108.653 108.800 0.096 0.000 2.806 410 G HA2 0.289 4.247 3.960 -0.003 0.000 0.236 410 G HA3 0.289 4.247 3.960 -0.003 0.000 0.236 410 G C 0.582 175.519 174.900 0.062 0.000 1.387 410 G CA 0.340 45.483 45.100 0.073 0.000 0.884 410 G HN 2.507 nan 8.290 nan 0.000 0.560 411 L N 0.000 121.253 121.223 0.049 0.000 2.949 411 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 411 L CA 0.000 54.864 54.840 0.040 0.000 0.813 411 L CB 0.000 42.092 42.059 0.055 0.000 0.961 411 L HN 0.000 nan 8.230 nan 0.000 0.502